SCHEMBL27747747

SCHEMBL27747747

COC(=O)c1cc(CO)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL1071793 0.88 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL7670560 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL21822426 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1072812 0.84 ALDH1A1 (0.50) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1074230 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL27592569 0.83 CA12 (0.53) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1071765 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1071701 0.80 MTNR1A (0.49) KDM4EALDH1A1HPGDNPSR1
SCHEMBL21585555 0.80 NR4A1 (0.53) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15936293 0.79 ALDH1A1 (0.58) KDM4EALDH1A1HPGDNPSR1MAPT

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
CN-101421249-A 4,5-diphenyl-pyrimidinyl-oxy or -mercapto substituted carboxylic acids, method for the production and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (FR) 2009-04-29 CN disclosed