SCHEMBL7787318

SCHEMBL7787318

OC(CBr)c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7171627 0.77 ADRA2C (0.50) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL7786043 0.74 CES2 (0.42) ADRB2CYP3A4CES2CES1
SCHEMBL6284406 0.72 ADRA2A (0.53) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL2093717 0.72 CES2 (0.37) CES2CES1
SCHEMBL30526163 0.71 SPHK1 (0.38) ADRB2MAPT
SCHEMBL9507620 0.70 ALDH1A1 (0.30)
SCHEMBL9507580 0.70 ALDH1A1 (0.30)
SCHEMBL30967203 0.70 ALDH1A1 (0.32) KDM4E
SCHEMBL6317625 0.70 LMNA (0.44) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL23212715 0.69 MEN1 (0.41) CES2CES1

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 7 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-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US 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
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed