SCHEMBL7319798

SCHEMBL7319798

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
PPARA Q07869 3/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PDK2 Q15119 2/20 0.39
SERPINE1 P05121 2/20 0.38
MCL1 Q07820 1/20 0.37
GPR17 Q13304 3/20 0.37
LTB4R Q15722 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FABP1 P07148 1/20 0.36
THRB P10828 1/20 0.36
PLA2G4B P0C869 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 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 SCHEMBL7315078 0.99 ALB (0.39) ALBPPARAFFAR1PPARGPPARD
SCHEMBL7315073 0.91 THRB (0.36) MAPTTHRBPLA2G4B
SCHEMBL7306516 0.85 MAPT (0.41) FFAR1PDK2MAPTKMT2ATDP1
SCHEMBL7306623 0.84 MCL1 (0.44) ALBPPARAFFAR1PPARGPPARD
Hydrochloric Acid SCHEMBL7311619 0.83 MCL1 (0.43) ALBPPARAFFAR1PPARGPPARD
SCHEMBL7311762 0.81 PDE3B (0.37) MEN1MAPTKMT2A
SCHEMBL7316016 0.81 MCL1 (0.45) FFAR1MCL1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7317408 0.80 MCL1 (0.44) FFAR1MCL1MEN1MAPTKMT2A
SCHEMBL7310233 0.80 PDK2 (0.40) ALBPPARAFFAR1PPARGPPARD
SCHEMBL7314481 0.79 FBP1 (0.38) ALBPPARAFFAR1SERPINE1LTB4R

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