SCHEMBL11530624

SCHEMBL11530624

O=CC(=O)c1cc(-c2ccccc2)ccc1-c1cccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 4/20 0.51
▸ HNF4A P41235 2/20 0.46
▸ DHFR P00374 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ KMO O15229 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ GSTA1 P08263 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ SMO Q99835 1/20 0.40
▸ RORB Q92753 1/20 0.40
▸ MAP3K8 P41279 1/20 0.40

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
SCHEMBL11530588 0.93 ACMSD (0.49) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11568765 0.93 ACMSD (0.49) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11536804 0.90 PTPN1 (0.45) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11528529 0.85 ATM (0.46) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11529950 0.81 PTGER4 (0.48) ACMSDHNF4ADHFRMCL1KMO
SCHEMBL11530033 0.81 BCAT2 (0.46) HNF4AALDH1A1MAPK1TDP1PTPN1
Water SCHEMBL11531305 0.80 PTGER4 (0.47) ACMSDHNF4ADHFRMCL1KMO
SCHEMBL11312027 0.79 GSTA1 (0.53) ACMSDHNF4ADHFRMCL1KMO
SCHEMBL11313052 0.77 ACMSD (0.46) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11311158 0.77 ACMSD (0.46) ACMSDHNF4ADHFRMCL1KMO

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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