SCHEMBL9309798

SCHEMBL9309798

NCCc1cc(Cl)ccc1CCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 4/20 0.47
GPR17 Q13304 2/20 0.44
PLAU P00749 1/20 0.44
IDO1 P14902 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
HTR2A P28223 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PDPK1 O15530 1/20 0.40

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 SCHEMBL3051856 0.87 PLAU (0.44) FFAR1FFAR4GPR17PLAUIDO1
Hydrochloric Acid SCHEMBL3051125 0.85 IDO1 (0.47) IDO1PTGDR2HTR2ATRPM8
SCHEMBL27387853 0.83 NPSR1 (0.46) FFAR1FFAR4GPR17PLAUHDAC6
SCHEMBL14430375 0.81 FFAR1 (0.54) FFAR1FFAR4GPR17PLAUHDAC6
SCHEMBL8359383 0.79 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL8239091 0.79 PLAU (0.47) FFAR1FFAR4GPR17PLAUHDAC6
SCHEMBL32689799 0.79 FFAR1 (0.49) FFAR1FFAR4GPR17PLAUHDAC6
SCHEMBL1418003 0.79 HIF1A (0.59) FFAR1FFAR4GPR17PLAUIDO1
SCHEMBL4699761 0.79 FFAR1 (0.49) FFAR1FFAR4GPR17PLAUHDAC6
SCHEMBL586345 0.79 PDPK1 (0.59) FFAR1GPR17PDPK1

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-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed