SCHEMBL11025892

SCHEMBL11025892

O=C(O)c1cc(O)cc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
TSHR P16473 4/20 0.48
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 2/20 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
SCHEMBL5225102 0.82 CA1 (0.50) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL29394521 0.82 AKR1C2 (0.69) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL4625424 0.82 AKR1C2 (0.69) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL1614866 0.79 AKR1C4 (0.65) HSD17B10HPGDCYP3A4TSHRAKR1C2
SCHEMBL30863904 0.78 AKR1C2 (0.48) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL23706746 0.78 CYP3A4 (0.60) HSD17B10HPGDCYP3A4TSHRAKR1C2
SCHEMBL10316093 0.78 CYP3A4 (0.68) HSD17B10HPGDCYP3A4TSHRAKR1C2
SCHEMBL20503756 0.78 AKR1C4 (0.44) HSD17B10CYP3A4TSHRAKR1C2AKR1C1
SCHEMBL3769878 0.77 TTR (0.58) CYP3A4TSHRAKR1C2AKR1C1AKR1C4
SCHEMBL1437003 0.76 CYP3A4 (0.48) HSD17B10HPGDCYP3A4TSHRAKR1C2

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
EP-0044205-B1 POLYESTER OF 6-HYDROXY-2-NAPHTHOIC ACID AND METAHYDROXY BENZOIC ACID CAPABLE OF READILY UNDERGOING MELT PROCESSING CELANESE CORPORATION (US) 1985-04-10 EP disclosed
US-4337190-A Polyester of 6-hydroxy-2-naphthoic acid and meta-hydroxy benzoic acid capable of readily undergoing melt processing CELANESE CORPORATION (US) 1982-06-29 US disclosed
EP-0044205-A1 Polyester of 6-hydroxy-2-naphthoic acid and metahydroxy benzoic acid capable of readily undergoing melt processing CELANESE CORPORATION (US) 1982-01-20 EP disclosed