SCHEMBL7313491

SCHEMBL7313491

O=Cc1c(F)ccc(CCCCCCC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.40
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TBXA2R P21731 2/20 0.35
TBXAS1 P24557 5/20 0.34
LTB4R Q15722 1/20 0.34

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 SCHEMBL7318096 0.99 F13A1 (0.39) F13A1MAPTRXFP1THRBHPGD
SCHEMBL7319473 0.90 F13A1 (0.40) F13A1MAPTRXFP1THRBHPGD
SCHEMBL7318092 0.89 ACLY (0.31)
Hydrochloric Acid SCHEMBL7319289 0.89 F13A1 (0.39) F13A1MAPTRXFP1THRBHPGD
SCHEMBL7306711 0.84 CYP4F2 (0.44) MAPTTBXAS1
SCHEMBL7319279 0.79 ACLY (0.33)
SCHEMBL7314952 0.77 F13A1 (0.42) F13A1MAPTRXFP1THRBHPGD
Hydrochloric Acid SCHEMBL7317083 0.76 F13A1 (0.41) F13A1MAPTRXFP1THRBHPGD
SCHEMBL7310321 0.75 F13A1 (0.43) F13A1MAPTRXFP1HPGDTBXAS1
SCHEMBL7318824 0.75 F13A1 (0.40) F13A1MAPTRXFP1TBXA2RLTB4R

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