SCHEMBL10011896

SCHEMBL10011896

O=C(O)c1ccc2ccc(C(=O)O)c3c2c1C=C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
WDR5 P61964 1/20 0.42
LDHA P00338 1/20 0.41
ALOX15 P16050 1/20 0.40
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
GABRP O00591 1/20 0.36

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
SCHEMBL5371317 0.82 HSD17B10 (0.52) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL2043273 0.82 CYP1A2 (0.58) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL898994 0.79 CYP1A2 (0.72) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL10012847 0.77 NR4A1 (0.47) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9365693 0.73 HSD17B10 (0.46) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL5356059 0.73 ALDH1A1 (0.66) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL3447012 0.73 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL13445966 0.73 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9137723 0.73 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL4758651 0.73 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1TSHRKDM4E

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
EP-2479199-B1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-19 EP disclosed
US-8946374-B2 Polyether ester composition, polyurethane resin composition, and optical material using the same DIC CORPORATION (JP) 2015-02-03 US disclosed
EP-2479199-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DIC Corporation (JP) 2012-07-25 EP disclosed
US-20120172567-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING THE SAME DIC CORPORATION (JP) 2012-07-05 US disclosed