SCHEMBL14167040

SCHEMBL14167040

CCC=CCC=CCC=CCCC(CC=CCC=CCCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP19A1 P11511 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ PPARG P37231 3/20 0.59
▸ OXER1 Q8TDS5 3/20 0.59
▸ RXRA P19793 2/20 0.59
▸ FFAR1 O14842 2/20 0.59
▸ PTGS1 P23219 4/20 0.49
▸ F7 P08709 3/20 0.49
▸ F3 P13726 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PPARD Q03181 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL14167038 1.00 ALDH1A1 (0.59) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14167111 0.92 ALDH1A1 (0.61) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14166754 0.90 ALDH1A1 (0.63) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14167387 0.90 ALDH1A1 (0.63) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14166752 0.90 ALDH1A1 (0.63) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14166620 0.88 NFKB1 (0.60) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14166621 0.88 NFKB1 (0.60) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL14167279 0.83 NFKB1 (0.67) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18258510 0.79 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL16092152 0.79 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1

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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