SCHEMBL11529950

SCHEMBL11529950

O=CC(=O)c1cccc(-c2cccc(-c3ccccc3)c2)c1C(=O)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.48
▸ PTGER3 P43115 2/20 0.48
▸ PTGER1 P34995 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ KMO O15229 1/20 0.42
▸ ACMSD Q8TDX5 3/20 0.41
▸ RORB Q92753 1/20 0.41
▸ HNF4A P41235 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ BCAT2 O15382 1/20 0.39
▸ SMO Q99835 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ GSTA1 P08263 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MGLL Q99685 1/20 0.37

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
Water SCHEMBL11531305 0.98 PTGER4 (0.47) PTGER4PTGER3PTGER1PTGER2KMO
Water SCHEMBL11409301 0.89 HNF4A (0.47) HNF4AALDH1A1MAPK1TDP1BCAT2
Water SCHEMBL11415614 0.89 HNF4A (0.47) HNF4AALDH1A1MAPK1TDP1BCAT2
SCHEMBL11530624 0.81 ACMSD (0.51) PTGER4PTGER3PTGER1PTGER2KMO
SCHEMBL11528277 0.80 PTGER1 (0.43) PTGER4PTGER3PTGER1PTGER2KMO
SCHEMBL6321242 0.78 KMO (0.53) PTGER4PTGER3PTGER1PTGER2KMO
SCHEMBL7864455 0.76 BCAT2 (0.59) HNF4AALDH1A1MAPK1TDP1BCAT2
SCHEMBL27634897 0.76 BCAT2 (0.53) HNF4AALDH1A1MAPK1TDP1BCAT2
SCHEMBL11702408 0.75 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1
SCHEMBL11530033 0.75 BCAT2 (0.46) HNF4AALDH1A1MAPK1TDP1BCAT2

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-4147728-A Disubstituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1979-04-03 — — US disclosed
US-4064176-A Di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-12-20 — — US disclosed
US-4045414-A New di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-08-30 — — US disclosed
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