SCHEMBL7787372

SCHEMBL7787372

Fc1cc(C2CO2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.35
CHRM2 P08172 1/20 0.35
DRD3 P35462 1/20 0.35
RIPK1 Q13546 1/20 0.34
TSHR P16473 1/20 0.34
NOTUM Q6P988 1/20 0.33
TACR1 P25103 1/20 0.32
HTR2C P28335 5/20 0.32
HTR2A P28223 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
SMYD2 Q9NRG4 1/20 0.30

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 0.88 HTR1A (0.40) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL532105 0.88 HTR1A (0.40) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL27813788 0.81 FFAR1 (0.39) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL6301377 0.81 TSHR (0.44) TSHR
SCHEMBL7786250 0.79 HTR1A (0.38) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL7784381 0.79 HTR1A (0.36) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL7786047 0.79 HTR1A (0.39) FFAR1HTR1AHTR2BCHRM2DRD3
SCHEMBL28876087 0.76 NOTUM (0.47) FFAR1RIPK1NOTUMHTR2C
SCHEMBL7786456 0.75 KDM1A (0.40) HTR1AHTR2BCHRM2DRD3RXRA
SCHEMBL6541552 0.73 HTR1A (0.62) FFAR1HTR1AHTR2BCHRM2DRD3

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