SCHEMBL2371897

SCHEMBL2371897

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ PPARA Q07869 5/20 0.43
▸ F7 P08709 4/20 0.43
▸ F3 P13726 4/20 0.43
▸ PPARD Q03181 4/20 0.43
▸ FFAR1 O14842 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ FABP4 P15090 3/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ FFAR4 Q5NUL3 2/20 0.43

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
SCHEMBL18634800 0.83 FAAH (0.42) PPARGALDH1A1PPARAF7F3
SCHEMBL18634654 0.80 FAAH (0.51) PPARGALDH1A1PPARAF7F3
SCHEMBL2370886 0.79 PPARG (0.61) PPARGALDH1A1PPARAF7F3
SCHEMBL2370893 0.79 PPARG (0.61) PPARGALDH1A1PPARAF7F3
SCHEMBL28633230 0.79 PPARG (0.65) PPARGALDH1A1PPARAF7F3
SCHEMBL28633229 0.79 PPARG (0.65) PPARGALDH1A1PPARAF7F3
SCHEMBL28957396 0.77 PPARG (0.64) PPARGALDH1A1PPARAF7F3
SCHEMBL14166943 0.77 ALDH1A1 (0.60) PPARGALDH1A1PPARAF7F3
SCHEMBL3316574 0.77 PPARG (0.59) PPARGALDH1A1PPARAF7F3
SCHEMBL28640561 0.75 ALDH1A1 (0.63) PPARGALDH1A1PPARAF7F3

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 claimed
WO-2011113507-A2 USE OF NITROCARBOXYLIC ACIDS FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF AGGRESSIVE HEALING PATTERNS DIETZ ULRICH (DE) 2011-09-22 — — WO claimed
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