SCHEMBL9530581

SCHEMBL9530581

CCCCc1ccc(C(=O)OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TSHR P16473 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 2/20 0.56
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
MMP1 P03956 1/20 0.45
RAB9A P51151 5/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL9337181 0.80 KDM4E (0.55) TDP1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL949772 0.80 NPC1 (0.51) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL9690183 0.79 ALDH1A1 (0.45) ALDH1A1POLBMAPTMDM2TP53
SCHEMBL27477137 0.79 TDP1 (0.46) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL9339112 0.78 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9339127 0.78 TNKS (0.45) L3MBTL1MAPTSMN1; SMN2
SCHEMBL8884936 0.77 GPR84 (0.50) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL9341393 0.76 TSHR (0.42) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL1232508 0.76 ALDH1A1 (0.69) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL4429436 0.75 KDM4E (0.53) TDP1TSHRALDH1A1CYP3A4MMP2

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
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
CN-1068109-A New angiotension II antagonists and the preparation of preparation and application FISONS PLC (GB) 1993-01-20 CN disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed