SCHEMBL5753963

SCHEMBL5753963

CSc1ccc(S(=O)(=O)CC2CCC(O)CC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.49
CTSK P43235 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MMP13 P45452 1/20 0.39

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
SCHEMBL2983970 1.00 CCR2 (0.49) CCR2CTSKMAOAMAOBMMP13
SCHEMBL5753959 1.00 CCR2 (0.49) CCR2CTSKMAOAMAOBMMP13
SCHEMBL2986117 0.87 CCR2 (0.62) CCR2CTSKMAOAMAOB
SCHEMBL2990164 0.83 CCR2 (0.57) CCR2CTSKMAOAMAOB
SCHEMBL5757482 0.83 CCR2 (0.57) CCR2CTSKMAOAMAOB
SCHEMBL3424689 0.83 CCR2 (0.57) CCR2CTSKMAOAMAOB
SCHEMBL5756396 0.82 CCR2 (0.59) CCR2CTSKMAOAMAOB
SCHEMBL5756401 0.82 CCR2 (0.59) CCR2CTSKMAOAMAOB
SCHEMBL2991013 0.82 CCR2 (0.59) CCR2CTSKMAOAMAOB
SCHEMBL3425633 0.81 CCR2 (0.50) CCR2CTSKMAOAMAOBMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO disclosed