SCHEMBL10460435

SCHEMBL10460435

OCCc1cc[c]c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
BACE1 P56817 1/20 0.48
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL5504193 0.82
SCHEMBL4448266 0.81 CNR1 (0.48) KDM4EALOX5TSHR
SCHEMBL11134188 0.78 NPC1 (0.50) KDM4EALDH1A1CA2CA1
SCHEMBL1100100 0.77 KDM4E (0.42) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL1662135 0.77 KDM4E (0.42) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL25262266 0.77 KDM4E (0.42) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL8582225 0.76 CDK1 (0.33)
SCHEMBL158786 0.76
SCHEMBL11597445 0.75 PTGS2 (0.52) KDM4EALDH1A1
SCHEMBL7055467 0.75 PTGS2 (0.52) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP disclosed