SCHEMBL19442000

SCHEMBL19442000

CCCCCCCCCC(CC(C)O)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.40
CA1 P00915 2/20 0.40
FFAR1 O14842 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PSMD14 O00487 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL9323932 0.85 ALDH1A1 (0.43) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117328 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117335 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117330 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117332 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117378 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL11880100 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117407 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117326 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2
SCHEMBL1117396 0.82 ALDH1A1 (0.50) GPR84CA1FFAR1ALDH1A1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782384-B2 Suspension compositions of physiologically active phenolic compounds and methods of making and using the same HUMANETICS CORPORATION (US) 2017-10-10 US disclosed