SCHEMBL8799594

SCHEMBL8799594

CCOCn1c(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.35
PTGS1 P23219 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNA7 P36544 3/20 0.35
APOBEC3G Q9HC16 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL28838573 0.86 CHRNA7 (0.36) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL9220849 0.75 MAPK14 (0.33) PTGS2PTGS1APOBEC3GMAPTNR1H2
SCHEMBL8799002 0.72 MEN1 (0.34) PTGS2PTGS1APOBEC3GNR1H2NR1H3
SCHEMBL9547529 0.71 PTGS2 (0.42) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL28067291 0.70 KDM4E (0.37) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL5812558 0.70 RXFP1 (0.36) NPSR1APOBEC3GRXFP1MAPTHTT
SCHEMBL9015078 0.69 KDM4E (0.37) HIF1ANPSR1RXFP1MAPTHTT
SCHEMBL7784780 0.69 PTGS1 (0.37) PTGS2PTGS1CYP3A4NPSR1CHRNA7
Chlorfenapyr SCHEMBL40337 0.69 RXFP1 (0.35) RXFP1MAPTHTT
SCHEMBL7786263 0.69 PTGS1 (0.39) PTGS2PTGS1NPSR1CHRNA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed