SCHEMBL2370914

SCHEMBL2370914

CCC=CCCCCC=CCCCCCC=C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.48
PPARA Q07869 5/20 0.48
ALDH1A1 P00352 5/20 0.46
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
CYP19A1 P11511 3/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
OXER1 Q8TDS5 2/20 0.46
PTGS1 P23219 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARD Q03181 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 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
SCHEMBL2370911 1.00 PPARG (0.48) PPARGPPARAALDH1A1F7F3
SCHEMBL6369893 0.85 PPARG (0.58) PPARGPPARAF7F3CYP19A1
SCHEMBL6369891 0.85 PPARG (0.58) PPARGPPARAF7F3CYP19A1
SCHEMBL21925330 0.85 PPARG (0.58) PPARGPPARAF7F3CYP19A1
SCHEMBL21925331 0.85 PPARG (0.58) PPARGPPARAF7F3CYP19A1
SCHEMBL7474661 0.77 PPARG (0.35) PPARGPPARAALDH1A1KMT2ALMNA
SCHEMBL29033609 0.72 F7 (0.65) PPARGPPARAALDH1A1F7F3
SCHEMBL1655436 0.72 F7 (0.65) PPARGPPARAALDH1A1F7F3
SCHEMBL8067162 0.71 F7 (0.50) PPARGPPARAALDH1A1F7F3
SCHEMBL14166582 0.71 FABP3 (0.66) PPARGPPARAALDH1A1F7F3

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-2547322-A2 USE OF NITROCARBOXYLIC ACIDS FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF AGGRESSIVE HEALING PATTERNS Dietz, Ulrich (DE) 2013-01-23 EP disclosed
WO-2011113507-A2 USE OF NITROCARBOXYLIC ACIDS FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF AGGRESSIVE HEALING PATTERNS DIETZ ULRICH (DE) 2011-09-22 WO disclosed