SCHEMBL9726223

SCHEMBL9726223

O=C(F)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
ADORA2A P29274 1/20 0.35
ATR Q13535 1/20 0.35
IDO1 P14902 1/20 0.34
CXCR2 P25025 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM4 P08173 1/20 0.32
ALOX5 P09917 1/20 0.32
ALB P02768 1/20 0.32
HDAC4 P56524 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
SCHEMBL977744 0.86 ALOX5 (0.41) FFAR4CTNNB1WNT3AATRMRGPRX4
SCHEMBL29710998 0.86 ALOX5 (0.41) FFAR4CTNNB1WNT3AATRMRGPRX4
Hydrochloric Acid SCHEMBL9235440 0.84 ALOX5 (0.41) FFAR4CTNNB1WNT3AATRMRGPRX4
SCHEMBL1902302 0.84 IDO1 (0.40) FFAR4CTNNB1WNT3AADORA2AATR
SCHEMBL4764043 0.84 PARP1 (0.44) FFAR4ATRALDH1A1
SCHEMBL1256244 0.84 ALOX15 (0.40) FFAR4CTNNB1WNT3AADORA2AATR
SCHEMBL10687705 0.84 FFAR4 (0.36) FFAR4CTNNB1WNT3AADORA2AATR
SCHEMBL8952075 0.81 PLA2G2D (0.37) FFAR4CTNNB1WNT3AADORA2AATR
SCHEMBL637798 0.81 PTPN1 (0.44) FFAR4CTNNB1WNT3AADORA2AATR
SCHEMBL22886590 0.80 TRPA1 (0.47) ADORA2AALOX15ALDH1A1ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4316574-A None JP disclosed
JP-H04316574-A SUBSTITUTED 2,2-DIFLUORO-1,3-BENZODIOXY-4-KETONE BAYER AG 1992-11-06 JP disclosed
US-4859783-A INTERMEDIATE FOR PESTICIDES CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
US-4722935-A 2,2-DIFLUORO-4-(2*,4*-DINITRO-6*-TRIFLUOROMETHYLANILINO)-1, 3-BENZODIOXOLE CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed