SCHEMBL9269604

SCHEMBL9269604

COC(=O)c1cc(C(O)c2ccc(C(=O)O)c(C(=O)OC)c2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ GRM8 O00222 1/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA7 P43166 2/20 0.43
▸ PDK2 Q15119 1/20 0.43

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
SCHEMBL9269600 0.97 HSD17B10 (0.47) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL8908076 0.93 HSD17B10 (0.46) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL10632616 0.91 CA12 (0.47) HSD17B10KMT2ACA12CA1CA2
SCHEMBL1955154 0.83 HSD17B10 (0.62) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL11770754 0.81 HSD17B10 (0.60) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL9269593 0.79 CA12 (0.51) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL338081 0.78 CFD (0.50) HSD17B10KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL8992908 0.78 PPARA (0.45) HSD17B10KMT2ASLC6A2SLC6A4CA12
SCHEMBL19976131 0.77 CA12 (0.44) HSD17B10KMT2ACA12CA1CA2
SCHEMBL21090566 0.77 CA12 (0.47) HSD17B10MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4736015-A FROM DI-(ORTETRA) ESTER OF BENZHYDROL 3,3*,4,4*-TETRACARBOXYLIC ACID AND AROMATIC DIAMINE INSTITUT FRANCAIS DU PETROLE (FR) 1988-04-05 — — US claimed
US-5378799-A Heat-stable polyimides and polyamide-imides with modified benzhydrol structural elements and their preparation CHEMIE LINZ GMBH (AT) 1995-01-03 — — US disclosed
US-4851506-A Photostructurable polyimide mixtures CIBA-GEIGY CORPORATION (US) 1989-07-25 — — US disclosed
US-4736015-A FROM DI-(ORTETRA) ESTER OF BENZHYDROL 3,3*,4,4*-TETRACARBOXYLIC ACID AND AROMATIC DIAMINE INSTITUT FRANCAIS DU PETROLE (FR) 1988-04-05 — — US disclosed
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