SCHEMBL7317854

SCHEMBL7317854

Cc1cc(C=O)c([N+](=O)[O-])c(CCCCCCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.43
SRC P12931 1/20 0.39
LTB4R Q15722 2/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERN1 O75460 1/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PPARA Q07869 2/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
FBP1 P09467 1/20 0.33

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 SCHEMBL7318028 0.99 F13A1 (0.42) F13A1SRCLTB4RTHRBHPGD
SCHEMBL7318019 0.89 ERN1 (0.33) F13A1SRCERN1KMT2A
SCHEMBL7318982 0.81 TSHR (0.43) LTB4RERN1MAPTPPARAKMT2A
Hydrochloric Acid SCHEMBL7309503 0.81 TSHR (0.42) LTB4RERN1MAPTPPARAKMT2A
SCHEMBL7314952 0.80 F13A1 (0.42) F13A1LTB4RTHRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7317083 0.79 F13A1 (0.41) F13A1LTB4RTHRBHPGDL3MBTL1
SCHEMBL7309407 0.79 TSHR (0.48) SRCERN1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7310273 0.78 TSHR (0.47) SRCERN1MAPTMEN1KMT2A
SCHEMBL7318631 0.75 MAPT (0.40) F13A1LTB4RTHRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7318713 0.74 MAPT (0.39) F13A1LTB4RTHRBHPGDL3MBTL1

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