SCHEMBL11024010

SCHEMBL11024010

CCCOc1ncccc1Cc1ccc(/C=C(\C)C(=O)[O-])cc1.[Na+]

nearest known ligand 0.56

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 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.56
HAO1 Q9UJM8 1/20 0.36
RORC P51449 1/20 0.34
PPARA Q07869 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
SLC13A5 Q86YT5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL11024008 1.00 TBXAS1 (0.56) TBXAS1HAO1RORCPPARAL3MBTL1
SCHEMBL11022889 0.91 TBXAS1 (0.58) TBXAS1L3MBTL1MAPK1HPGDSLC13A5
SCHEMBL11022887 0.91 TBXAS1 (0.58) TBXAS1L3MBTL1MAPK1HPGDSLC13A5
SCHEMBL11020361 0.88 TBXAS1 (0.62) TBXAS1MAPK1HPGDSLC13A5LMNA
SCHEMBL11020363 0.88 TBXAS1 (0.62) TBXAS1MAPK1HPGDSLC13A5LMNA
SCHEMBL11039471 0.86 MAPT (0.41) TBXAS1HAO1L3MBTL1MAPK1HPGD
SCHEMBL11039475 0.86 MAPT (0.41) TBXAS1HAO1L3MBTL1MAPK1HPGD
SCHEMBL11020799 0.85 TBXAS1 (0.56) TBXAS1SLC13A5FFAR4
SCHEMBL11020803 0.85 TBXAS1 (0.56) TBXAS1SLC13A5FFAR4
SCHEMBL11020320 0.80 TBXAS1 (0.55) TBXAS1L3MBTL1MAPK1HPGDSLC13A5

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
EP-0153678-A1 Cinnamic acid derivatives, processes for the preparation thereof and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-04 EP disclosed