SCHEMBL7525229

SCHEMBL7525229

CCCCCCCC/C=C\CCCCCCCC(=O)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 5/20 0.46
FAAH O00519 3/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
FFAR1 O14842 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN7 P35236 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
FABP4 P15090 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL8010249 0.93 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4HPGDTDP1
SCHEMBL8016153 0.75 FABP3 (0.44) FABP3FAAHALDH1A1KDM4EF7
SCHEMBL9319781 0.75 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL9322076 0.75 MGLL (0.51) ALDH1A1LMNAHPGD
SCHEMBL10337054 0.75 MGLL (0.51) ALDH1A1LMNAHPGD
SCHEMBL21771829 0.73 HSD17B3 (0.45) ALDH1A1FFAR1TDP1
SCHEMBL9319747 0.72 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL21771848 0.72 HSD17B3 (0.44) FAAHALDH1A1FFAR1EPHX2
Oleic Acid SCHEMBL17491655 0.71 PPARG (0.62) FABP3FAAHALDH1A1KDM4EF7
SCHEMBL27723409 0.71 ALDH1A1 (0.48) FABP3FAAHALDH1A1KDM4EF7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875232-B1 A lipid composition containing liquid crystal phase TAKASAGO PERFUMERY CO LTD (JP) 2002-02-13 EP disclosed
US-5916578-A 2-ACETAMINOALKANE-1,3-DIOL OR ITS OPTICAL ISOMER, STEROL, MOISTURIZERS TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-06-29 US disclosed
EP-0875232-A1 A lipid composition containing liquid crystal phase Takasago International Corporation (JP) 1998-11-04 EP disclosed