SCHEMBL8777328

SCHEMBL8777328

OCc1cc2ccccc2c(-c2c(O)c(CO)cc3ccccc23)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
NQO2 P16083 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MPI P34949 1/20 0.41
NQO1 P15559 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
POLB P06746 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL3420214 0.89 MAPT (0.54) ALOX5TRPM4MEN1KMT2AALDH1A1
SCHEMBL27809393 0.86 GPR84 (0.42) ALOX5MEN1KMT2AALDH1A1KDM4E
SCHEMBL30940211 0.85 ERN1 (0.52) ALOX5MEN1KMT2AMAPTNQO1
SCHEMBL30940210 0.85 ERN1 (0.52) ALOX5MEN1KMT2AMAPTNQO1
SCHEMBL16983223 0.84 GPR84 (0.49) ALOX5TRPM4NQO2MEN1KMT2A
SCHEMBL21615614 0.81 GPR84 (0.57) ALOX5TRPM4NQO2MEN1KMT2A
SCHEMBL22229791 0.81 ME2 (0.52) ALOX5TRPM4NQO2ALDH1A1KDM4E
SCHEMBL16978927 0.80 GPR84 (0.39) ALOX5TRPM4NQO2MEN1KMT2A
SCHEMBL15037543 0.80 MAPT (0.44) ALOX5NQO2MEN1KMT2AALDH1A1
SCHEMBL5727179 0.78 MAPT (0.43) ALOX5TRPM4MEN1KMT2AALDH1A1

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
EP-0471498-B1 Optical resolution method KANKYO KAGAKU CENTER (JP) 1997-12-17 EP claimed
EP-0471498-B1 Optical resolution method KANKYO KAGAKU CENTER (JP) 1997-12-17 EP disclosed
US-5510520-A Optical resolution method KANKYO KAGAKU CENTER CO., LTD. (JP) 1996-04-23 US disclosed
US-5395962-A Optical resolution method KANKYO KAGAKU CENTER CO., LTD. (JP) 1995-03-07 US disclosed
EP-0471498-A2 Optical resolution method KANKYO KAGAKU CENTER CO., LTD (JP) 1992-02-19 EP disclosed