SCHEMBL30064465

SCHEMBL30064465

CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)[O-].CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.58

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 13)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.46
CA1 known ✓ P00915 1/20 0.43
NAAA Q02083 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL41758 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL1560117 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL27345328 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL422570 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL1052607 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL4270419 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL9723694 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8745005 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8637982 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL321605 0.89 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110951245-B Preparation method of double-stearoyl sodium tartrate diester modified talcum powder and nylon composite material 三菱电机(中国)有限公司 2022-09-06 CN disclosed