SCHEMBL11245966

SCHEMBL11245966

CCCCCCCCCCCCCCCCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
LPAR1 Q92633 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50
FAAH O00519 7/20 0.42
CES1 P23141 5/20 0.42
GGPS1 O95749 4/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FDPS P14324 6/20 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
SCHEMBL664815 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1697656 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL83980 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL4854234 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23034519 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24234728 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL465782 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL6934289 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22268768 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL4434277 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB

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 5 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