SCHEMBL7786083

SCHEMBL7786083

OC(CBr)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
PDE2A O00408 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CES2 O00748 1/20 0.34
GRIN2B Q13224 2/20 0.34
TACR1 P25103 4/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
AKT1 P31749 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 0.89 PNMT (0.49) PNMTPDE2ACES2GRIN2BTACR1
SCHEMBL29256555 0.84 PNMT (0.41) PNMTPDE2ARXRARXRBRXRG
SCHEMBL29256557 0.84 PNMT (0.41) PNMTPDE2ARXRARXRBRXRG
SCHEMBL30988810 0.84 PNMT (0.41) PNMTPDE2ARXRARXRBRXRG
SCHEMBL7786043 0.82 CES2 (0.42) CES2IDO1TDO2
SCHEMBL7786113 0.82 PNMT (0.44) PNMTPDE2ACES2GRIN2BTACR1
SCHEMBL7784364 0.81 PNMT (0.42) PNMTPDE2ACES2GRIN2BTACR1
SCHEMBL7783845 0.81 PNMT (0.42) PNMTPDE2ACES2GRIN2BTACR1
SCHEMBL27474110 0.78 RXRA (0.39) RXRARXRBRXRGCES2TACR1
SCHEMBL7783846 0.77 RXRA (0.41) PNMTRXRARXRBRXRGGRIN2B

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