SCHEMBL8917682

SCHEMBL8917682

CCC(=O)OOc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 4/20 0.42
SLC6A4 P31645 4/20 0.42
KCNH2 Q12809 4/20 0.42
MRGPRX4 Q96LA9 8/20 0.41

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
SCHEMBL150103 0.82 FFAR1 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10646211 0.80 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10589748 0.79 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9633459 0.79 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10644204 0.79 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10644316 0.78 PPARA (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10645341 0.78 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL15635194 0.78 FFAR1 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10642883 0.78 FFAR1 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL204622 0.78 FFAR1 (0.58) FFAR1MEN1TTRPPOXKMT2A

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-5695773-A APPLYING ONTO PLANT A DILUENT AND A SOLUTION CONSISTING OF OXYNIL AND A HERBICIDE IN LIQUID STATE CFPI AGRO (FR) 1997-12-09 US claimed