SCHEMBL7318161

SCHEMBL7318161

O=Cc1ccc(OCCCCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.47
PDE2A O00408 3/20 0.46
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
P2RY12 Q9H244 1/20 0.46
PPARA Q07869 4/20 0.45
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
SERPINE1 P05121 2/20 0.43
SIRT5 Q9NXA8 2/20 0.42
ACSL1 P33121 2/20 0.42
ACSL6 Q9UKU0 2/20 0.42
PLA2G4B P0C869 1/20 0.41
PDK2 Q15119 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTB4R Q15722 1/20 0.40

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
Hydrochloric Acid SCHEMBL7311375 0.99 ALB (0.46) ALBPDE2APDE3BPDE3AP2RY12
SCHEMBL7313303 0.99 PPARA (0.46) ALBPDE2APDE3BPDE3AP2RY12
Hydrochloric Acid SCHEMBL7313969 0.97 PPARA (0.45) ALBPDE2APDE3BPDE3AP2RY12
SCHEMBL7308163 0.95 SIRT5 (0.44) ALBPDE2APDE3BPDE3AP2RY12
Hydrochloric Acid SCHEMBL7311528 0.94 SIRT5 (0.43) ALBPDE2APDE3BPDE3AP2RY12
SCHEMBL7315327 0.90 SIRT5 (0.49) ALBPDE2APDE3BPDE3AP2RY12
SCHEMBL7305496 0.90 SIRT5 (0.49) ALBPDE2APDE3BPDE3AP2RY12
SCHEMBL7311369 0.89 MAPT (0.39) ALBPLA2G4BMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7321238 0.89 SIRT5 (0.48) ALBPDE2APDE3BPDE3AP2RY12
Hydrochloric Acid SCHEMBL7317049 0.89 SIRT5 (0.48) ALBPDE2APDE3BPDE3AP2RY12

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