SCHEMBL7315333

SCHEMBL7315333

O=Cc1c([N+](=O)[O-])ccc(CCCCCCC(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
F13A1 P00488 3/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FBP1 P09467 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TBXAS1 P24557 5/20 0.36
LTB4R Q15722 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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 SCHEMBL7311372 0.99 ACLY (0.41) ACLYF13A1CYP1A2MAPTTDP1
SCHEMBL7311366 0.90 ACLY (0.38) ACLYCYP1A2TDP1KMT2AFBP1
SCHEMBL7318824 0.85 F13A1 (0.40) F13A1MAPTTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7317507 0.84 F13A1 (0.39) F13A1MAPTTDP1MEN1KMT2A
SCHEMBL7318441 0.84 ALDH1A1 (0.48) CYP1A2MAPTTDP1MEN1KMT2A
SCHEMBL7310321 0.83 F13A1 (0.43) F13A1MAPTTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7313325 0.82 F13A1 (0.42) F13A1MAPTTDP1MEN1KMT2A
SCHEMBL7315501 0.81 F13A1 (0.44) ACLYF13A1MAPTTDP1MEN1
Hydrochloric Acid SCHEMBL7315719 0.80 F13A1 (0.43) ACLYF13A1MAPTTDP1MEN1
SCHEMBL7316510 0.79 ALDH1A1 (0.39) CYP1A2MAPTMEN1KMT2AALDH1A1

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