SCHEMBL8699137

SCHEMBL8699137

CS(=O)(=O)Nc1ccc(Cn2c(C(=O)O)cc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.67
SERPINE1 P05121 1/20 0.56
PPARG P37231 2/20 0.50
GPR35 Q9HC97 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
TSPO P30536 1/20 0.48
ERCC5 P28715 1/20 0.47

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
SCHEMBL8696938 0.89 CCR2 (0.66) CCR2SERPINE1PPARGGPR35ALDH1A1
SCHEMBL8700066 0.86 CCR2 (0.64) CCR2SERPINE1PPARGGPR35NOD2
SCHEMBL8697469 0.85 CCR2 (0.63) CCR2SERPINE1PPARGGPR35
SCHEMBL5421083 0.83 SERPINE1 (0.81) CCR2SERPINE1PPARG
SCHEMBL5378162 0.82 CCR2 (1.00) CCR2GPR35NOD2NOD1ALDH1A1
SCHEMBL8697141 0.81 CCR2 (0.67) CCR2SERPINE1PPARGGPR35NOD2
SCHEMBL29845455 0.81 CCR2 (0.81) CCR2GPR35NOD2NOD1ALDH1A1
SCHEMBL3961949 0.79 CCR2 (1.00) CCR2GPR35
SCHEMBL8697273 0.79 CCR2 (0.72) CCR2SERPINE1PPARGGPR35NOD2
SCHEMBL8700207 0.79 CCR2 (0.60) CCR2SERPINE1PPARGGPR35

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-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed