SCHEMBL11242235

SCHEMBL11242235

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

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.80
FFAR4 Q5NUL3 7/20 0.80
RXFP1 Q9HBX9 1/20 0.49
GNA15 P30679 1/20 0.49
PTGER3 P43115 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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 0.88 FFAR1 (0.76) FFAR1FFAR4RXFP1GNA15PTGER3
SCHEMBL11240957 0.87 FFAR1 (0.67) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL11249779 0.85 FFAR1 (0.71) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL1509 0.84 TAAR1 (0.57) FFAR1FFAR4HDAC1HDAC8
SCHEMBL11233308 0.80 FFAR1 (0.65) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL11235397 0.79 FFAR1 (0.70) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL11236732 0.77 FFAR1 (0.61) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL9238416 0.77 FFAR1 (0.61) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL14924230 0.77 FFAR1 (0.82) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL11246781 0.77 FFAR1 (0.60) FFAR1FFAR4HDAC1HDAC3HDAC2

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