SCHEMBL7989542

SCHEMBL7989542

COc1cc2ccccc2c(O)c1-c1c(OC)cc2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NQO1 P15559 2/20 0.48
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ERN1 O75460 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
CETP P11597 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
EP300 Q09472 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CDK5 Q00535 1/20 0.43

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
SCHEMBL6545110 0.86 NQO1 (0.50) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL5612804 0.85 MAPT (0.55) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL6681989 0.83 MAPT (0.55) MAPTNQO1ALDH1A1NPSR1GAA
SCHEMBL15212737 0.83 NQO1 (0.47) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL23043242 0.81 NQO1 (0.46) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL30707088 0.81 NQO1 (0.46) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL19616862 0.81 NQO1 (0.46) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL31037541 0.80 NQO1 (0.47) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL20562674 0.79 NQO1 (0.47) MAPTNQO1ALDH1A1NPSR1MEN1
SCHEMBL8082067 0.79 ERN1 (0.61) MAPTNQO1ALDH1A1NPSR1GAA

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-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 US claimed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 US disclosed