SCHEMBL29993552

SCHEMBL29993552

O=C([O-])c1cccc(C(=O)OCC(O)O)c1.[Na+]

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.41
CA4 known ✓ P22748 1/20 0.41
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 14/20 0.44
ADRB1 P08588 14/20 0.44
ADRB3 P13945 14/20 0.44
PTPN1 P18031 1/20 0.40
PRKCA P17252 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28859254 1.00 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL4762261 0.90 ALDH1A1 (0.58) ALDH1A1ADRB2ADRB1ADRB3PTPN1
SCHEMBL29657345 0.84 TDP1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL4762265 0.83 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL28649657 0.82 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL29902446 0.80 CYP4F2 (0.55) ALDH1A1CA2
Lithium Ion SCHEMBL29266499 0.80 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL28415653 0.79 SLC7A5 (0.52) ALDH1A1CA2CA4
SCHEMBL13217500 0.77 ALDH1A1 (0.78) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Isophthalic Acid SCHEMBL106980 0.76 CA2 (0.67) ALDH1A1CA2CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209735-B Cationic dyeable bio-based furan dicarboxylic acid polyester and preparation method of fibers 浙江桐昆新材料研究院有限公司 2024-06-25 CN claimed
CN-117209735-A Cationic dyeable bio-based furan dicarboxylic acid polyester and preparation method of fibers 浙江桐昆新材料研究院有限公司 2023-12-12 CN claimed
CN-119875094-A Water-soluble polyester resin and preparation method thereof 深圳市深赛尔股份有限公司 2025-04-25 CN disclosed
CN-118894983-A Water-soluble polyester, and preparation method and application thereof 中国石油化工股份有限公司 2024-11-05 CN disclosed
CN-115151687-B Core-sheath composite fiber for artificial hair, head ornament product containing the same, and method for producing the same 株式会社钟化 2024-07-05 CN disclosed
CN-117209735-B Cationic dyeable bio-based furan dicarboxylic acid polyester and preparation method of fibers 浙江桐昆新材料研究院有限公司 2024-06-25 CN disclosed
CN-118065125-A Ultraviolet-resistant and penetration-resistant fabric and preparation process thereof 广州日祥纺织有限公司 2024-05-24 CN disclosed
CN-118064093-A Preparation method of self-emulsifying water-based full-biodegradable pressure-sensitive adhesive 江苏景宏新材料科技股份有限公司 2024-05-24 CN disclosed
CN-118064093-A Preparation method of self-emulsifying water-based full-biodegradable pressure-sensitive adhesive 江苏景宏新材料科技股份有限公司 2024-05-24 CN disclosed
CN-117209735-A Cationic dyeable bio-based furan dicarboxylic acid polyester and preparation method of fibers 浙江桐昆新材料研究院有限公司 2023-12-12 CN disclosed
CN-113438907-B Core-sheath composite fiber for artificial hair, head ornament product containing the same, and method for producing the same 株式会社钟化 2023-08-29 CN disclosed
CN-113453573-B Core-sheath composite fiber for artificial hair, head ornament product containing the same, and method for producing the same 株式会社钟化 2023-07-14 CN disclosed
CN-115175581-A Core-sheath composite fiber for artificial hair, head ornament comprising same, and method for producing same 株式会社钟化 2022-10-11 CN disclosed
CN-115151687-A Core-sheath composite fiber for artificial hair, head ornament product comprising same, and method for producing same 株式会社钟化 2022-10-04 CN disclosed