SCHEMBL7783845

SCHEMBL7783845

Cc1cc(C(O)CBr)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
PDE2A O00408 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
TACR1 P25103 5/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
CES2 O00748 1/20 0.33
GRIN2B Q13224 1/20 0.33
IDH1 O75874 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL7787286 0.87 PNMT (0.49) PNMTPDE2ATACR1CES2GRIN2B
SCHEMBL12789029 0.81 PNMT (0.38) PNMTPDE2ARAPGEF4PGK1PGK2
SCHEMBL16412648 0.81 ALDH1A1 (0.36) TACR1
SCHEMBL7786083 0.81 PNMT (0.44) PNMTPDE2ATACR1CES2GRIN2B
SCHEMBL7786113 0.81 PNMT (0.44) PNMTPDE2ATACR1CES2GRIN2B
SCHEMBL12789084 0.80 PNMT (0.37) PNMTPDE2ARAPGEF4TACR1PGK1
SCHEMBL7784364 0.79 PNMT (0.42) PNMTPDE2ARAPGEF4TACR1CES2
SCHEMBL15787179 0.79 PNMT (0.43) PNMTPDE2ARAPGEF4TACR1GRIN2B
SCHEMBL7783846 0.79 RXRA (0.41) PNMTTACR1GRIN2B
SCHEMBL17243750 0.79 PNMT (0.36) PNMTPDE2ARAPGEF4PGK1PGK2

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-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed