SCHEMBL11113346

SCHEMBL11113346

O=C(OCl)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.53
FFAR1 O14842 3/20 0.51
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
STK39 Q9UEW8 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11114346 0.89 MRGPRX4 (0.52) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL10499547 0.89 FFAR1 (0.56) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL10673556 0.89 MRGPRX4 (0.67) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL30278570 0.87 MRGPRX4 (0.69) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL3791436 0.87 MRGPRX4 (0.69) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL8015966 0.87 MRGPRX4 (0.54) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL8011544 0.86 MRGPRX4 (0.65) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL10613595 0.86 MAOB (0.55) MRGPRX4FFAR1MEN1TTRPPOX
SCHEMBL7574658 0.85 MRGPRX4 (0.53) MRGPRX4FFAR1MEN1TTRPPOX
Potassium Ion SCHEMBL27878046 0.85 MRGPRX4 (0.53) MRGPRX4FFAR1MEN1TTRPPOX

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
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 US disclosed