SCHEMBL7928937

SCHEMBL7928937

CCCCOc1ccc(CCCC(CCc2ccc(-c3cccc(C#N)c3)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MMP3 P08254 7/20 0.48
MMP2 P08253 6/20 0.48
PTGES O14684 6/20 0.46
ALOX5 P09917 6/20 0.46
PPARG P37231 6/20 0.46
PPARA Q07869 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FOLH1 Q04609 1/20 0.43
FDFT1 P37268 1/20 0.43

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
SCHEMBL7928277 0.89 MMP12 (0.64) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL3467249 0.88 MMP12 (0.54) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL7932591 0.88 MMP12 (0.63) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL8041180 0.82 PPARG (0.61) MMP3MMP2PTGESALOX5PPARG
SCHEMBL3467000 0.81 MMP12 (0.51) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL3467017 0.81 MMP12 (0.57) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL3466325 0.79 FFAR1 (0.57) MMP12MMP13FFAR1FFAR4FOLH1
SCHEMBL7917889 0.79 MMP12 (0.55) MMP12MMP13MMP3MMP2FFAR1
SCHEMBL7924636 0.79 MMP12 (0.65) MMP12MMP13MMP2FFAR1FFAR4
SCHEMBL1858749 0.79 FOLH1 (0.50) MMP12MMP13MMP3MMP2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed