SCHEMBL7314481

SCHEMBL7314481

O=Cc1c([N+](=O)[O-])ccc(Cl)c1OCCCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
PYGL P06737 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
LTB4R Q15722 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
VCAM1 P19320 1/20 0.36
SERPINE1 P05121 1/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
PPARA Q07869 1/20 0.35
ALB P02768 1/20 0.35

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 SCHEMBL7312508 0.99 FBP1 (0.38) FBP1PYGLFFAR4LTB4RALDH1A1
SCHEMBL7312503 0.91 ALDH1A1 (0.37) FBP1ALDH1A1TDP1MAPTKMT2A
SCHEMBL7314001 0.85 MAPT (0.41) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL7309453 0.85 TSHR (0.41) FFAR4ALDH1A1MAPTKMT2AFFAR1
Hydrochloric Acid SCHEMBL7307853 0.84 TSHR (0.40) FFAR4ALDH1A1MAPTKMT2AFFAR1
SCHEMBL7309665 0.83 LMNA (0.43) ALDH1A1TDP1KMT2A
SCHEMBL7316510 0.82 ALDH1A1 (0.39) FFAR4ALDH1A1MEN1MAPTKMT2A
SCHEMBL7319027 0.81 FFAR4 (0.46) FFAR4FFAR1
Hydrochloric Acid SCHEMBL7317393 0.81 PRSS1 (0.40) FFAR4ALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7315798 0.81 FFAR4 (0.46) FFAR4FFAR1

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