SCHEMBL20733768

SCHEMBL20733768

CCC(C)c1ccc(-c2cccc3c2oc2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
PRKDC P78527 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
GGPS1 O95749 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
ATM Q13315 1/20 0.31
ALOX15 P16050 1/20 0.31
GLA P06280 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL4549422 0.82 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL4549368 0.82 ALOX5 (0.56) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL4549396 0.82 ALOX5 (0.56) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL4549369 0.80 ALOX5 (0.59) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL16302981 0.80 ALOX5 (0.58) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL4549370 0.79 ALOX5 (0.56) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL4549386 0.78 MCL1 (0.33) ALOX5ALDH1A1HPGDMAPK1HIF1A
SCHEMBL20733817 0.77 ALOX5 (0.50) ALOX5PRKDCALDH1A1TSHRL3MBTL1
SCHEMBL26415716 0.77 ALOX5 (0.49) ALOX5PRKDCALDH1A1TSHRHPGD
SCHEMBL4549384 0.77 ALOX5 (0.51) ALOX5PRKDCALDH1A1TSHRL3MBTL1

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
WO-2019031605-A1 FUSED RING COMPOUND 東ソー株式会社 2019-02-14 WO disclosed