SCHEMBL8167415

SCHEMBL8167415

COc1ccc(Oc2c(CCC(=O)[O-])sc3cc(OC)c(OC)cc23)cc1.[Na+]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A known ✓ P04350 2/20 0.37
▸ TUBB known ✓ P07437 2/20 0.37
▸ TUBA3C known ✓ P0DPH7 2/20 0.37
▸ TUBA1B known ✓ P68363 2/20 0.37
▸ TUBA4A known ✓ P68366 2/20 0.37
▸ TUBB4B known ✓ P68371 2/20 0.37
▸ TUBB3 known ✓ Q13509 2/20 0.37
▸ TUBB2A known ✓ Q13885 2/20 0.37
▸ TUBB8 known ✓ Q3ZCM7 2/20 0.37
▸ TUBA3E known ✓ Q6PEY2 2/20 0.37
▸ TUBA1A known ✓ Q71U36 2/20 0.37
▸ TUBA1C known ✓ Q9BQE3 2/20 0.37
▸ TUBB6 known ✓ Q9BUF5 2/20 0.37
▸ TUBB2B known ✓ Q9BVA1 2/20 0.37
▸ TUBB1 known ✓ Q9H4B7 2/20 0.37
▸ CA1 known ✓ P00915 1/20 0.35
▸ CA2 known ✓ P00918 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ STING1 Q86WV6 1/20 0.40
▸ SERPINE1 P05121 2/20 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
SCHEMBL7394624 0.88 STING1 (0.50) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL8180444 0.86 L3MBTL1 (0.44) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL8167640 0.84 L3MBTL1 (0.42) L3MBTL1STING1CNR2KDRESR1
SCHEMBL7395401 0.80 L3MBTL1 (0.51) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL8168027 0.80 L3MBTL1 (0.43) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL8179574 0.79 L3MBTL1 (0.40) L3MBTL1STING1SERPINE1CNR2KDR
SCHEMBL8175651 0.78 CA1 (0.43) L3MBTL1SERPINE1TUBB4ATUBBTUBA3C
SCHEMBL7394439 0.78 L3MBTL1 (0.43) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL7392946 0.78 L3MBTL1 (0.43) L3MBTL1STING1SERPINE1TUBB4ATUBB
SCHEMBL8180219 0.77 SERPINE1 (0.42) L3MBTL1SERPINE1PDGFRAKDRPDE10A

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
US-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 — — US disclosed
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