SCHEMBL7587408

SCHEMBL7587408

COc1ccc(OB(O)O)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.41
S1PR1 P21453 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL8882115 0.87 AR (0.39) ARS1PR1GAAALDH1A1LMNA
SCHEMBL28079310 0.83 RXRA (0.47) S1PR1
SCHEMBL31622482 0.83 RXRA (0.48) ARS1PR1LMNAMAPTATM
SCHEMBL29775318 0.82 CA12 (0.56) ARGAAALDH1A1LMNAMAPT
SCHEMBL12422332 0.82 CA12 (0.56) ARGAAALDH1A1LMNAMAPT
SCHEMBL2178296 0.78 CA2 (0.61) GAAALDH1A1LMNASMN1; SMN2CA12
SCHEMBL19212317 0.77 HTR2A (0.40) ARHTR2APTPN7DUSP3
SCHEMBL22042263 0.77 LMNA (0.47) LMNACA12CA1CA2CA7
SCHEMBL30504353 0.77 LMNA (0.47) LMNACA12CA1CA2CA7
SCHEMBL19886499 0.77 AR (0.41) ARS1PR1GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed