SCHEMBL7315327

SCHEMBL7315327

O=Cc1cc(OCCCCCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.49
PPARA Q07869 3/20 0.48
ALB P02768 1/20 0.47
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PDE2A O00408 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 1/20 0.43
SERPINE1 P05121 3/20 0.43
MAPT P10636 2/20 0.43
ACSL1 P33121 1/20 0.42
ACSL6 Q9UKU0 1/20 0.42
BACE1 P56817 1/20 0.42
PLA2G4B P0C869 1/20 0.41
PDK2 Q15119 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
SCHEMBL7305496 1.00 SIRT5 (0.49) SIRT5PPARAALBFFAR1PPARG
Hydrochloric Acid SCHEMBL7317049 0.99 SIRT5 (0.48) SIRT5PPARAALBFFAR1PPARG
Hydrochloric Acid SCHEMBL7321238 0.99 SIRT5 (0.48) SIRT5PPARAALBFFAR1PPARG
SCHEMBL7319416 0.99 SIRT5 (0.50) SIRT5PPARAALBFFAR1PPARG
Hydrochloric Acid SCHEMBL7317739 0.97 SIRT5 (0.49) SIRT5PPARAALBFFAR1PPARG
SCHEMBL2555832 0.95 SIRT5 (0.51) SIRT5PPARAFFAR1PDE2APDE3B
Hydrochloric Acid SCHEMBL7309631 0.94 SIRT5 (0.50) SIRT5PPARAFFAR1PDE2APDE3B
SCHEMBL7318161 0.90 ALB (0.47) SIRT5PPARAALBFFAR1PPARG
SCHEMBL7321233 0.89 MAPT (0.42) SIRT5MAPTBACE1PLA2G4B
SCHEMBL7317041 0.89 MAPT (0.42) SIRT5MAPTBACE1PLA2G4B

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed