SCHEMBL7787286

SCHEMBL7787286

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
TACR1 P25103 10/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CES2 O00748 2/20 0.39
GRIN2B Q13224 1/20 0.37
PDE2A O00408 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
SCHEMBL7786113 0.89 PNMT (0.44) PNMTTACR1IDO1TDO2CES2
SCHEMBL7786083 0.89 PNMT (0.44) PNMTTACR1IDO1TDO2CES2
SCHEMBL7784364 0.87 PNMT (0.42) PNMTTACR1IDO1TDO2CES2
SCHEMBL7783845 0.87 PNMT (0.42) PNMTTACR1IDO1TDO2CES2
SCHEMBL7783846 0.83 RXRA (0.41) PNMTTACR1GRIN2B
SCHEMBL25920947 0.83 PNMT (0.47) PNMTTACR1IDO1TDO2CES2
SCHEMBL7109755 0.82 PNMT (0.72) PNMTIDO1TDO2CES2GRIN2B
SCHEMBL459815 0.81 PNMT (0.46) PNMTTACR1IDO1TDO2CES2
SCHEMBL264592 0.81 PNMT (0.46) PNMTTACR1IDO1TDO2CES2
SCHEMBL6484095 0.81 PNMT (0.46) PNMTTACR1IDO1TDO2CES2

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