SCHEMBL7305347

SCHEMBL7305347

O=Cc1ccc(Cl)c(CCCCCCC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
FBP1 P09467 1/20 0.37
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FFAR4 Q5NUL3 1/20 0.34
F13A1 P00488 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
IMPDH2 P12268 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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 SCHEMBL7317956 0.99 L3MBTL1 (0.39) L3MBTL1THRBHPGDFBP1MAPT
SCHEMBL7317950 0.90 VCAM1 (0.32) L3MBTL1THRBHPGDFBP1ALDH1A1
SCHEMBL7307738 0.85 CYP4F2 (0.40) HPGDFBP1MAPTALDH1A1KMT2A
SCHEMBL7319123 0.79 HPGD (0.39) L3MBTL1THRBHPGDMAPTFFAR4
Hydrochloric Acid SCHEMBL7317619 0.78 HPGD (0.39) L3MBTL1THRBHPGDMAPTFFAR4
SCHEMBL7318631 0.78 MAPT (0.40) L3MBTL1THRBHPGDMAPTRXFP1
SCHEMBL7314929 0.78 FFAR4 (0.38) L3MBTL1THRBHPGDMAPTFFAR4
SCHEMBL7314952 0.77 F13A1 (0.42) L3MBTL1THRBHPGDMAPTRXFP1
Hydrochloric Acid SCHEMBL7318884 0.77 FFAR4 (0.37) L3MBTL1THRBHPGDMAPTFFAR4
Hydrochloric Acid SCHEMBL7318713 0.77 MAPT (0.39) L3MBTL1THRBHPGDMAPTRXFP1

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