SCHEMBL6825609

SCHEMBL6825609

CCCC1(CC(=O)OC(C)(C)C)CC2(CCN(C(=O)O)CC2)OC1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
GPR119 Q8TDV5 3/20 0.31

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
SCHEMBL6823065 0.86
SCHEMBL6823010 0.82 USP2 (0.44) GPR119
SCHEMBL6823567 0.76 USP2 (0.43) GPR119
SCHEMBL6822715 0.70 USP2 (0.42) GPR119
SCHEMBL6819442 0.69 DDB1 (0.34) GPR119
SCHEMBL6823231 0.65 USP2 (0.41) GPR119
SCHEMBL371222 0.62 USP2 (0.45) GPR119
SCHEMBL28990172 0.62 CYP4F2 (0.49)
SCHEMBL21408130 0.61 KDM1A (0.41)
SCHEMBL6825314 0.61 USP2 (0.41) GPR119

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
WO-2004058763-A1 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-07-15 WO disclosed