SCHEMBL901091

SCHEMBL901091

O=C(O)C1=C(C(=O)O)c2cccc3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.59
ALDH1A1 P00352 6/20 0.52
CES2 O00748 1/20 0.52
BCHE P06276 1/20 0.52
CES1 P23141 1/20 0.52
MCL1 Q07820 1/20 0.52
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
RXFP1 Q9HBX9 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 3/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL12486117 0.82 HSD17B10 (0.47) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL28813379 0.82 HSD17B10 (0.47) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL1666908 0.79 ALDH1A1 (0.57) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL1669188 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL15477048 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL15477049 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL12486275 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL9390822 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL28323064 0.76 FGFR1 (0.52) ALDH1A1CES2CES1TSHRL3MBTL1
SCHEMBL1449076 0.74 HSD17B10 (1.00) HSD17B10ALDH1A1CES2BCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103154071-B Coating composition 蓝立方知识产权有限责任公司 2016-06-15 CN disclosed
EP-2621998-A1 COATING COMPOSITIONS Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
US-20130178584-A1 COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-07-11 US disclosed
CN-103154071-A coating composition DOW GLOBAL TECHNOLOGIES LLC 2013-06-12 CN disclosed
WO-2012044490-A1 COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-05 WO disclosed