SCHEMBL7315501

SCHEMBL7315501

O=Cc1c(CCCCCCC(=O)O)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.44
FBP1 P09467 1/20 0.44
ACLY P53396 1/20 0.43
MAPT P10636 2/20 0.39
GRIA2 P42262 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FABP4 P15090 2/20 0.39
TBXAS1 P24557 5/20 0.37
LTB4R Q15722 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 SCHEMBL7315719 0.99 F13A1 (0.43) F13A1FBP1ACLYMAPTGRIA2
SCHEMBL7315717 0.90 ACLY (0.38) F13A1FBP1ACLYMAPTGRIA2
SCHEMBL7312320 0.83 ALDH1A1 (0.44) MAPTMEN1KMT2ATDP1
SCHEMBL7315333 0.81 ACLY (0.42) F13A1FBP1ACLYMAPTMEN1
Hydrochloric Acid SCHEMBL7311372 0.80 ACLY (0.41) F13A1FBP1ACLYMAPTMEN1
SCHEMBL7310321 0.79 F13A1 (0.43) F13A1FBP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7313325 0.78 F13A1 (0.42) F13A1FBP1MAPTMEN1KMT2A
SCHEMBL7318824 0.76 F13A1 (0.40) F13A1FBP1MAPTMEN1KMT2A
SCHEMBL7313534 0.76 MAPT (0.40) F13A1FBP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7312278 0.75 MAPT (0.39) F13A1FBP1MAPTMEN1KMT2A

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