SCHEMBL4375022

SCHEMBL4375022

CS(=O)(=O)n1c(C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.61
CCR2 P41597 9/20 0.50
PPARG P37231 4/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22003888 0.81 ACLY (0.67) ACLYCCR2PPARGPPARDPPARA
SCHEMBL741459 0.81 ACLY (0.64) ACLYCCR2PPARGPPARDPPARA
SCHEMBL7743563 0.80 MCL1 (0.60) CCR2
SCHEMBL4369364 0.79 KDM4E (0.65) CCR2
SCHEMBL6959898 0.79 ACLY (0.61) ACLYCCR2PPARGPPARDPPARA
SCHEMBL6407386 0.78 CCR2 (0.52) ACLYCCR2RXFP1MEN1KMT2A
SCHEMBL6953098 0.78 CCR2 (0.75) ACLYCCR2PPARGPPARDPPARA
SCHEMBL3137788 0.78 ACLY (0.63) ACLYCCR2PPARGPPARDPPARA
SCHEMBL43328 0.78 KDM4E (0.66) CCR2RXFP1MEN1KMT2A
SCHEMBL1307861 0.77 ACLY (0.41) ACLYCCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed