SCHEMBL11311158

SCHEMBL11311158

O=CC(=O)c1cc(-c2ccccc2)ccc1Sc1ccc(-c2ccccc2)cc1C(=O)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 4/20 0.46
▸ HNF4A P41235 2/20 0.46
▸ DHFR P00374 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ IKBKB O14920 1/20 0.44
▸ GSTA1 P08263 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ DCLRE1A Q6PJP8 1/20 0.38
▸ DCLRE1B Q9H816 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ERCC5 P28715 1/20 0.38

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
SCHEMBL11311155 0.82 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1CDC25BATM
SCHEMBL11530588 0.79 ACMSD (0.49) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11312027 0.79 GSTA1 (0.53) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11568765 0.79 ACMSD (0.49) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11530624 0.77 ACMSD (0.51) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11313052 0.77 ACMSD (0.46) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11528529 0.75 ATM (0.46) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11322844 0.74 ACMSD (0.44) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL11536804 0.74 PTPN1 (0.45) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL1195836 0.74 ALDH1A1 (0.47) ACMSDHNF4ADHFRMCL1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304898-A HEAT RESIST METAL WIRE COATINGS INSTITUT FRANCAIS DU PETROLE (FR) 1981-12-08 — — US disclosed
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