SCHEMBL9136566

SCHEMBL9136566

COC(=O)c1ccc(Cc2c(C)[nH]c(C)cc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.60
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ PTPN5 P54829 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP4A11 Q02928 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41

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
SCHEMBL9454876 0.76 PTGS2 (0.44) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4229319 0.75 AR (1.00) ARLOXL2TDP1CYP4A11CA12
SCHEMBL16880250 0.75 NR4A2 (0.56) ARKDM4EALDH1A1PTPN5ALOX15
SCHEMBL69454 0.74 LOXL2 (0.70) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16880021 0.74 PTPN5 (0.60) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL18966722 0.73 ALDH1A1 (0.56) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9235475 0.72 AR (0.59) ARALDH1A1HSD17B10HPGDLOXL2
SCHEMBL5131182 0.71 PTPN5 (0.63) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5132934 0.71 PTPN5 (0.63) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16155876 0.71 TDP1 (0.77) ARALDH1A1LOXL2TDP1CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380730-A Angiotensin antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-10 — — US disclosed
US-5236936-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 — — US disclosed
EP-0499416-A2 Pyridine compounds as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 — — EP disclosed
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