SCHEMBL11250666

SCHEMBL11250666

CCCCCCCCC[CH]CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
FAAH O00519 10/20 0.41
CES1 P23141 6/20 0.41
THRB P10828 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PLA2G4A P47712 1/20 0.37
DNM1 Q05193 3/20 0.36
CES2 O00748 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11257904 1.00 TSHR (0.42) TSHRFAAHCES1THRBTRPV1
SCHEMBL3266583 1.00 TSHR (0.42) TSHRFAAHCES1THRBTRPV1
SCHEMBL8475271 0.79
SCHEMBL29180732 0.79 FAAH (0.53) FAAHCES1TRPV1PLA2G4AMEN1
SCHEMBL11245962 0.79 TSHR (0.41) TSHRFAAHCES1THRBTRPV1
SCHEMBL15869141 0.79 FAAH (0.53) FAAHCES1TRPV1PLA2G4AMEN1
SCHEMBL15929348 0.78 TSHR (0.44) TSHRFAAHTHRBTRPV1DNM1
SCHEMBL27218329 0.76 GGPS1 (0.52) FAAHCES1TRPV1PLA2G4ACYP1A2
SCHEMBL25174128 0.76 TSHR (0.58) TSHRFAAHTHRBTRPV1DNM1
SCHEMBL25176521 0.76 TSHR (0.58) TSHRFAAHTHRBTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP claimed
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed