SCHEMBL7314952

SCHEMBL7314952

O=Cc1cccc(CCCCCCC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ERN1 O75460 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
TBXAS1 P24557 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL7317083 0.99 F13A1 (0.41) F13A1MAPTRXFP1ERN1L3MBTL1
SCHEMBL7317076 0.88 ERN1 (0.38) MAPTERN1
SCHEMBL7317165 0.83 CYP4F2 (0.52) MAPTHPGDTBXAS1MEN1KMT2A
SCHEMBL2630913 0.80 ERN1 (0.45) MAPTERN1TDP1
SCHEMBL7310321 0.80 F13A1 (0.43) F13A1MAPTRXFP1ERN1HPGD
SCHEMBL27820398 0.80 MAPT (0.56) F13A1MAPTRXFP1LTB4RLTB4R2
SCHEMBL7310010 0.80 PTGDR2 (0.46) MAPTERN1L3MBTL1THRBHPGD
SCHEMBL7317854 0.80 F13A1 (0.43) F13A1MAPTRXFP1ERN1L3MBTL1
SCHEMBL2033848 0.79 ERN1 (0.41) MAPTERN1TDP1
Hydrochloric Acid SCHEMBL7313325 0.79 F13A1 (0.42) F13A1MAPTRXFP1ERN1HPGD

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