SCHEMBL7784381

SCHEMBL7784381

FC(F)(F)c1cc(Cl)cc(C2CO2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
NOTUM Q6P988 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
HTR2B P41595 2/20 0.35
CHRM2 P08172 1/20 0.35
DRD3 P35462 1/20 0.35
AHR P35869 1/20 0.33
TSHR P16473 1/20 0.33
FFAR1 O14842 1/20 0.32
ACLY P53396 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TACR1 P25103 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL6494759 0.86 HTR1A (0.40) HTR1ANOTUMHTR2BCHRM2DRD3
SCHEMBL532105 0.86 HTR1A (0.40) HTR1ANOTUMHTR2BCHRM2DRD3
SCHEMBL7053297 0.80 TSHR (0.44) HTR2BTSHRHTR2AHTR2C
SCHEMBL7787372 0.79 FFAR1 (0.45) HTR1ANOTUMHTR2BCHRM2DRD3
SCHEMBL7786250 0.78 HTR1A (0.38) HTR1ANOTUMRAPGEF4HTR2BCHRM2
SCHEMBL7786047 0.78 HTR1A (0.39) HTR1ANOTUMHTR2BCHRM2DRD3
SCHEMBL1659020 0.77 NOTUM (0.46) NOTUMRAPGEF4AHRACLYFFAR4
SCHEMBL15517359 0.75 HTR1A (0.32) HTR1ANOTUMRAPGEF4ACLYTACR1
SCHEMBL31182154 0.75 TEAD1 (0.53)
SCHEMBL25258441 0.75 TSHR (0.37) TSHR

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