SCHEMBL13729738

SCHEMBL13729738

CCCCCCCC/C=C\CC(CCCCCC(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.52
▸ FFAR4 Q5NUL3 2/20 0.52
▸ F7 P08709 5/20 0.50
▸ F3 P13726 5/20 0.50
▸ PPARG P37231 5/20 0.50
▸ PPARD Q03181 5/20 0.50
▸ PPARA Q07869 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ PTGS1 P23219 3/20 0.50
▸ FABP4 P15090 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ DUSP3 P51452 2/20 0.50
▸ PTPN7 P35236 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP19A1 P11511 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ NR4A2 P43354 2/20 0.50
▸ SIRT6 Q8N6T7 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ FABP3 P05413 1/20 0.50

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
Oleic Acid SCHEMBL13731199 0.80 PPARG (0.59) FFAR1FFAR4F7F3PPARG
SCHEMBL4575497 0.80 CYP1A2 (0.56) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL8658926 0.78 CYP1A2 (0.54) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL28640561 0.76 ALDH1A1 (0.63) FFAR1FFAR4F7F3PPARG
SCHEMBL28640562 0.76 ALDH1A1 (0.63) FFAR1FFAR4F7F3PPARG
SCHEMBL9616884 0.75 FFAR1 (0.51) FFAR1FFAR4F7F3PPARG
SCHEMBL13745046 0.74 PPARG (0.62) FFAR1FFAR4F7F3PPARG
SCHEMBL31542088 0.74 FFAR1 (0.65) FFAR1FFAR4F7F3PPARG
SCHEMBL31542094 0.74 FFAR1 (0.65) FFAR1FFAR4F7F3PPARG
SCHEMBL12813140 0.73 CYP1A2 (0.49) PPARGALDH1A1LMNAKDM4EHPGD

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
EP-2702150-A1 LIPASE VARIANTS HAVING INCREASED ENZYME SPECIFICITY OR ENHANCED TRANS-SELECTIVITY, AND METHODS OF USE Frito-Lay Trading Company GmbH (CH) 2014-03-05 — — EP disclosed
WO-2012146935-A1 LIPASE VARIANTS HAVING INCREASED ENZYME SPECIFICITY OR ENHANCED TRANS-SELECTIVITY, AND METHODS OF USE FRITO-LAY TRADING COMPANY, GMBH (CH) 2012-11-01 — — WO disclosed
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