SCHEMBL11022889

SCHEMBL11022889

CCOc1ncccc1Cc1ccc(C=C(C)C(=O)[O-])cc1.[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 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.58
SLC13A5 Q86YT5 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL11022887 1.00 TBXAS1 (0.58) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11024008 0.91 TBXAS1 (0.56) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11024010 0.91 TBXAS1 (0.56) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11020363 0.90 TBXAS1 (0.62) TBXAS1SLC13A5HPGDMAPK1LMNA
SCHEMBL11020361 0.90 TBXAS1 (0.62) TBXAS1SLC13A5HPGDMAPK1LMNA
SCHEMBL11020320 0.88 TBXAS1 (0.55) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11020321 0.88 TBXAS1 (0.55) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11020799 0.87 TBXAS1 (0.56) TBXAS1SLC13A5
SCHEMBL11020803 0.87 TBXAS1 (0.56) TBXAS1SLC13A5
SCHEMBL11022827 0.86 MAPK1 (0.43) TBXAS1SLC13A5L3MBTL1HPGDMAPK1

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