SCHEMBL6273595

SCHEMBL6273595

O=C(O)c1ccc(Cn2cnc3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)cc3c2=O)cc1.O=C(O)c1ccc(Cn2cnc3cnc(C(=O)NCc4cccc(F)c4)cc3c2=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.88
SLC22A8 Q8TCC7 1/20 0.66
PTGER4 P35408 3/20 0.52

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
SCHEMBL6359845 0.94 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6363976 0.93 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6269862 0.91 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6272431 0.87 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL8312576 0.87 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6272899 0.84 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6360232 0.84 MMP13 (0.78) MMP13SLC22A8
SCHEMBL6273558 0.84 MMP13 (0.83) MMP13SLC22A8PTGER4
SCHEMBL6270131 0.83 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6288748 0.83 MMP13 (1.00) MMP13SLC22A8PTGER4

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-2005106495-A1 PROCOLLAGEN II BIOMARKERS AND METHODS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO claimed
WO-2005106495-A1 PROCOLLAGEN II BIOMARKERS AND METHODS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed