SCHEMBL10906089

SCHEMBL10906089

CCCCCCCCCCCC(O)C[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NFKB1 P19838 1/20 0.47
PSMD14 O00487 2/20 0.43
PLA2G1B P04054 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
LAP3 P28838 1/20 0.41
CA2 P00918 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41

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
SCHEMBL11692164 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6382813 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11624224 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL10947381 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6294221 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11689543 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11692251 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6261483 0.98 NFKB1 (0.48) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6776556 0.92 ALDH1A1 (0.44) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11877387 0.86 ALDH1A1 (0.40) GPR84FFAR1FFAR4ALDH1A1NFKB1

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
US-4582940-A Chemical process POLAROID CORPORATION (US) 1986-04-15 US disclosed
US-4058541-A Preparation of 2-alkanoyloxy-alkanoic TEXACO INC. (US) 1977-11-15 US disclosed
US-4058540-A FROM A NITROALKYL NITRATE OR NITRO ALCOHOL AND ALKANOIC ACID, CALCIUM OCIDE OR CARBOXYLATE CATALYST TEXACO INC. (US) 1977-11-15 US disclosed