SCHEMBL11249779

SCHEMBL11249779

CCOC(=O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.71
FFAR4 Q5NUL3 7/20 0.71
THRB P10828 1/20 0.55
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GNA15 P30679 1/20 0.47
PTGER3 P43115 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL11244569 0.90 FFAR1 (0.76) FFAR1FFAR4THRBKDM4EGNA15
SCHEMBL11236732 0.89 FFAR1 (0.61) FFAR1FFAR4THRBKDM4ENPSR1
SCHEMBL901880 0.86 FFAR4 (0.55) FFAR1FFAR4THRBEPHX2KDM4E
SCHEMBL11242235 0.85 FFAR1 (0.80) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL11246781 0.84 FFAR1 (0.60) FFAR1FFAR4THRBKDM4ENPSR1
SCHEMBL11249758 0.83 RXFP1 (0.51) FFAR1FFAR4THRBEPHX2KDM4E
SCHEMBL16839651 0.80 THRB (0.58) FFAR1FFAR4THRBKDM4ENPSR1
SCHEMBL11233308 0.80 FFAR1 (0.65) FFAR1FFAR4THRBKDM4ETDP1
SCHEMBL11248054 0.78 CYP4F2 (0.56) FFAR1FFAR4KDM4ECYP4F2CYP4A11
SCHEMBL25190960 0.78 NPSR1 (0.67) FFAR1FFAR4THRBKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed