SCHEMBL11536804

SCHEMBL11536804

O=CC(=O)c1cc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ ACMSD Q8TDX5 3/20 0.44
▸ HNF4A P41235 2/20 0.44
▸ DHFR P00374 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ IKBKB O14920 4/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GALK1 P51570 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMAD3 P84022 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
SCHEMBL11530588 0.94 ACMSD (0.49) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11568765 0.94 ACMSD (0.49) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11530033 0.91 BCAT2 (0.46) PTPN1HNF4AATMMEN1APAF1
SCHEMBL11530624 0.90 ACMSD (0.51) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11528529 0.89 ATM (0.46) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11532212 0.79 HDAC7 (0.46) MCL1L3MBTL1ALDH1A1
SCHEMBL11528988 0.78 ALDH1A1 (0.52) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11527797 0.78 ALDH1A1 (0.52) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL11312027 0.77 GSTA1 (0.53) PTPN1ACMSDHNF4ADHFRMCL1
SCHEMBL7864455 0.76 BCAT2 (0.59) HNF4AMEN1LMNAMAPTHTT

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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