SCHEMBL11312027

SCHEMBL11312027

O=CC(=O)c1cc(-c2ccccc2)ccc1C(=O)c1ccc(-c2ccccc2)cc1C(=O)C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 1/20 0.53
▸ ACMSD Q8TDX5 4/20 0.49
▸ HNF4A P41235 2/20 0.49
▸ CDC25B P30305 2/20 0.49
▸ DHFR P00374 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ IKBKB O14920 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DCLRE1A Q6PJP8 1/20 0.44
▸ DCLRE1B Q9H816 1/20 0.44
▸ PTPN1 P18031 2/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 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
SCHEMBL1195836 0.83 ALDH1A1 (0.47) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11312016 0.83 CDC25B (0.52) GSTA1CDC25BATMALDH1A1MAPK1
SCHEMBL11530588 0.82 ACMSD (0.49) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11568765 0.82 ACMSD (0.49) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL27281349 0.79 CDC25B (0.63) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11530624 0.79 ACMSD (0.51) GSTA1ACMSDHNF4ADHFRMCL1
SCHEMBL11311158 0.79 ACMSD (0.46) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11313052 0.79 ACMSD (0.46) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11528529 0.78 ATM (0.46) GSTA1ACMSDHNF4ACDC25BDHFR
SCHEMBL11528988 0.77 ALDH1A1 (0.52) ACMSDHNF4ACDC25BDHFRMCL1

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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