SCHEMBL14167111

SCHEMBL14167111

CC/C=C/C/C=C/CC(CC/C=C/C/C=C/CCCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ PPARG P37231 6/20 0.61
▸ CYP19A1 P11511 5/20 0.61
▸ F7 P08709 4/20 0.61
▸ F3 P13726 4/20 0.61
▸ OXER1 Q8TDS5 4/20 0.61
▸ PPARD Q03181 4/20 0.61
▸ PPARA Q07869 4/20 0.61
▸ PTGS1 P23219 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ RXRA P19793 2/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ MAPT P10636 4/20 0.55
▸ FFAR1 O14842 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ HPGD P15428 2/20 0.55

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
SCHEMBL14167387 0.95 ALDH1A1 (0.63) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14166752 0.95 ALDH1A1 (0.63) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14166754 0.95 ALDH1A1 (0.63) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14167040 0.92 ALDH1A1 (0.59) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14167038 0.92 ALDH1A1 (0.59) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14167279 0.91 NFKB1 (0.67) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14166620 0.86 NFKB1 (0.60) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14166621 0.86 NFKB1 (0.60) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL13745046 0.84 PPARG (0.62) ALDH1A1PPARGCYP19A1F7F3
SCHEMBL14167179 0.83 FFAR1 (0.61) ALDH1A1PPARGCYP19A1F7F3

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-2717864-A1 BIOPASSIVATING MEMBRANE STABILIZATION BY MEANS OF NITROCARBOXYLIC ACID-CONTAINING PHOSPHOLIPIDS IN PREPARATIONS AND COATINGS Dietz, Ulrich (DE) 2014-04-16 — — EP disclosed
WO-2012168342-A1 BIOPASSIVATING MEMBRANE STABILIZATION BY MEANS OF NITROCARBOXYLIC ACID-CONTAINING PHOSPHOLIPIDS IN PREPARATIONS AND COATINGS DIETZ ULRICH (DE) 2012-12-13 — — WO disclosed
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