SCHEMBL7918302

SCHEMBL7918302

COc1ncccc1-c1ccc(CCC(CCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
DHODH Q02127 1/20 0.45
GRIK1 P39086 1/20 0.43
NAAA Q02083 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
MMP3 P08254 2/20 0.40
FFAR1 O14842 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
PPARG P37231 2/20 0.40
MMP2 P08253 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL3466502 0.90 MAPK1 (0.42) MAPK1DHODHGRIK1FFAR4MMP3
SCHEMBL3467962 0.83 PPARG (0.54) GRIK1FFAR1PTGESALOX5PPARG
SCHEMBL3466023 0.82 MAPK1 (0.45) MAPK1DHODHFFAR4MMP3MMP2
SCHEMBL3467371 0.79 MMP3 (0.58) GRIK1MMP3ALOX5MMP2
SCHEMBL8041638 0.79 GRIK1 (0.56) MAPK1GRIK1MMP3MMP2
SCHEMBL3467355 0.78 GRIK1 (0.51) GRIK1MMP3MMP2
SCHEMBL1856418 0.77 ALDH1A1 (0.56) GRIK1MMP3ALOX5MMP2
SCHEMBL1861903 0.77 GRIK1 (0.59) GRIK1MMP3FFAR1MMP2
SCHEMBL7923945 0.77 MMP2 (0.57) GRIK1MMP3FFAR1PPARGMMP2
SCHEMBL1860416 0.75 GRIK1 (0.68) MAPK1GRIK1MMP3PTGESALOX5

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