SCHEMBL9690183

SCHEMBL9690183

CCCCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
BRS3 P32247 7/20 0.39
MDM2 Q00987 1/20 0.38
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM3B Q7LBC6 1/20 0.36
HIF1AN Q9NWT6 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
SCHEMBL9530581 0.79 TDP1 (0.56) ALDH1A1MAPTMDM2POLBTP53
SCHEMBL9339112 0.77 MAPT (0.49) ALDH1A1KDM4EMAPTHTTBRS3
SCHEMBL4432510 0.73 KDM4E (0.49) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL9337484 0.71 MAPT (0.46) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL1837211 0.69 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4A
SCHEMBL4429436 0.69 KDM4E (0.53) ALDH1A1KDM4EMAPTHSD17B10GPR84
SCHEMBL28058117 0.68 ESR1 (0.61) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL4430955 0.68 KDM4E (0.47) ALDH1A1KDM4ELMNAHTTKDM6B
SCHEMBL9571043 0.68 MAPT (0.40) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL28087839 0.68 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDMAPT

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
CN-1068109-A New angiotension II antagonists and the preparation of preparation and application FISONS PLC (GB) 1993-01-20 CN disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed