SCHEMBL8016153

SCHEMBL8016153

CCCCCCCC/C=C\CCCCCCCC(=O)c1c(F)[c]ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 6/20 0.44
FAAH O00519 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
FFAR1 O14842 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN7 P35236 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.42
FABP4 P15090 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL7525229 0.75 FABP3 (0.46) FABP3FAAHALDH1A1KDM4EF7
SCHEMBL27723409 0.69 ALDH1A1 (0.48) FABP3FAAHALDH1A1KDM4EF7
Oleic Acid SCHEMBL13731199 0.68 PPARG (0.59) FABP3FAAHALDH1A1KDM4EF7
SCHEMBL30096968 0.68 MAPT (0.82) FAAHALDH1A1KDM4EF7F3
SCHEMBL28983661 0.68 HSD17B3 (0.55) FAAHF7F3PPARGPPARD
SCHEMBL14166751 0.67 FABP3 (0.66) FABP3ALDH1A1KDM4EF7F3
SCHEMBL14166748 0.67 FABP3 (0.66) FABP3ALDH1A1KDM4EF7F3
SCHEMBL20356885 0.67 MEN1 (0.56) FAAHALDH1A1KDM4EDUSP3PTPN7
SCHEMBL14166781 0.65 FABP3 (0.62) FABP3FAAHF7F3PPARG
Linoleic Acid SCHEMBL11024270 0.65 FABP3 (0.96) FABP3ALDH1A1KDM4EF7F3

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-6162614-A Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI KABUSHIKI KAISHA (JP) 2000-12-19 US disclosed