SCHEMBL7632499

SCHEMBL7632499

O=C(O)COc1ccc(CCCO)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
EPHX2 P34913 1/20 0.60
PPARA Q07869 3/20 0.55
ALOX15 P16050 1/20 0.55
FFAR1 O14842 3/20 0.53
ALDH1A1 P00352 2/20 0.51
PPARD Q03181 1/20 0.51
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PTGIR P43119 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PTPN7 P35236 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN12 Q05209 1/20 0.49
CYP4A11 Q02928 1/20 0.49
PPARG P37231 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
SCHEMBL2439826 0.89 ALOX15 (0.59) PPARAALOX15FFAR1ALDH1A1PPARD
SCHEMBL11332779 0.84 ALOX15 (0.53) PPARAALOX15FFAR1ALDH1A1PPARD
SCHEMBL11544962 0.84 ALOX15 (0.53) PPARAALOX15FFAR1ALDH1A1PPARD
SCHEMBL12611895 0.84 ALDH1A1 (0.61) PPARAALOX15ALDH1A1SMN1; SMN2PPARG
Hydrochloric Acid SCHEMBL3179439 0.83 ALOX15 (0.52) PPARAALOX15FFAR1ALDH1A1PPARD
SCHEMBL7565477 0.83 FFAR1 (0.67) LTA4HEPHX2PPARAFFAR1PPARD
SCHEMBL2054507 0.83 PPARA (0.67) PPARAALDH1A1PPARG
SCHEMBL8849741 0.81 FFAR1 (0.67) ALOX15FFAR1
SCHEMBL28669666 0.81 ALOX15 (0.70) PPARAALOX15FFAR1ALDH1A1PPARD
SCHEMBL5696314 0.81 PPARA (0.69) PPARAALDH1A1PPARG

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
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed