SCHEMBL29135059

SCHEMBL29135059

C=C(CC(=O)[O-])C(=O)OCCCC.[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 14)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.41
TSHR P16473 4/20 0.49
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
EPHX1 P07099 1/20 0.38
ACHE P22303 6/20 0.37
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11692260 0.96 TSHR (0.49) TSHRALDH1A1HPGDATMCA1
Lithium Ion SCHEMBL27205246 0.96 TSHR (0.49) TSHRALDH1A1HPGDATMCA1
Zinc Ion SCHEMBL2597857 0.90 TSHR (0.59) TSHRALDH1A1EPHX1ACHEHCAR2
SCHEMBL1975150 0.81 TSHR (0.56) TSHRALDH1A1HPGDATMEPHX1
SCHEMBL329097 0.81 TSHR (0.52) TSHRALDH1A1HPGDATMEPHX1
SCHEMBL194857 0.81 TSHR (0.52) TSHRALDH1A1HPGDATMEPHX1
SCHEMBL11181616 0.80 TSHR (0.50) TSHRALDH1A1HPGDATMEPHX1
SCHEMBL28132099 0.80 TSHR (0.50) TSHRALDH1A1HPGDATMEPHX1
SCHEMBL10057778 0.80 TSHR (0.50) TSHRALDH1A1HPGDATMEPHX1
Hydrochloric Acid SCHEMBL10881989 0.80 TSHR (0.50) TSHRALDH1A1HPGDATMEPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118460147-A Preparation method and application of polyacrylic acid powder binder for lithium battery 杭州叁元素赋能新材料有限公司 2024-08-09 CN claimed
CN-117343670-A Adhesive for negative electrode of water-based lithium ion battery, and preparation method and application thereof 杭州叁元素赋能新材料有限公司 2024-01-05 CN claimed
CN-118460147-A Preparation method and application of polyacrylic acid powder binder for lithium battery 杭州叁元素赋能新材料有限公司 2024-08-09 CN disclosed
CN-117343670-A Adhesive for negative electrode of water-based lithium ion battery, and preparation method and application thereof 杭州叁元素赋能新材料有限公司 2024-01-05 CN disclosed