SCHEMBL7999920

SCHEMBL7999920

CCCCOc1ccc(/C=C\CCC(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
MAPT P10636 1/20 0.49
LTA4H P09960 3/20 0.48
ALDH1A1 P00352 1/20 0.47
AHR P35869 1/20 0.47
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 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
SCHEMBL10739398 0.90 MGLL (0.50) ABCG2MAPTALDH1A1BRD4SMN1; SMN2
SCHEMBL10739403 0.90 MGLL (0.50) ABCG2MAPTALDH1A1BRD4SMN1; SMN2
SCHEMBL20024718 0.82 PPARA (0.53) LTA4HALDH1A1L3MBTL1PPARA
SCHEMBL8080152 0.82 PPARA (0.61) ABCG2MAPTALDH1A1L3MBTL1PPARA
SCHEMBL8080149 0.82 PPARA (0.61) ABCG2MAPTALDH1A1L3MBTL1PPARA
SCHEMBL28119671 0.81 PPARA (0.51) ABCG2AHRPPARAPPARD
SCHEMBL4202774 0.81 TDP1 (0.50) MAPTALDH1A1MAPK1PPARA
SCHEMBL4957455 0.81 TDP1 (0.50) MAPTALDH1A1MAPK1PPARA
SCHEMBL4512879 0.80 LTA4H (0.54) LTA4HPPARAPPARD
SCHEMBL4512878 0.80 LTA4H (0.54) LTA4HPPARAPPARD

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed