SCHEMBL11233308

SCHEMBL11233308

COC(=O)Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.65
FFAR4 Q5NUL3 1/20 0.65
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
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
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11236732 0.89 FFAR1 (0.61) FFAR1FFAR4HTTALDH1A1POLB
SCHEMBL11244569 0.88 FFAR1 (0.76) FFAR1FFAR4POLBRXFP1THRB
SCHEMBL11240957 0.87 FFAR1 (0.67) FFAR1FFAR4HTTALDH1A1RXFP1
SCHEMBL30632615 0.85 HTT (0.60) HTTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL4338 0.85 HTT (0.60) HTTALDH1A1POLBTDP1SMN1; SMN2
Nitrogen SCHEMBL29173898 0.83 HTT (0.57) HTTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL11249779 0.80 FFAR1 (0.71) FFAR1FFAR4HTTALDH1A1THRB
SCHEMBL11242235 0.80 FFAR1 (0.80) FFAR1FFAR4RXFP1TDP1HDAC1
SCHEMBL11235397 0.79 FFAR1 (0.70) FFAR1FFAR4HTTPOLBRXFP1
SCHEMBL5692025 0.79 BACE1 (0.60) MEN1KMT2ALMNA

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