SCHEMBL6095907

SCHEMBL6095907

CCCCCc1ccc(C(=O)N2CC(=NOC(C)(C)C)C[C@H]2C(=O)NC(OC)(OC)c2ccccc2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.38
MMP7 P09237 6/20 0.38
MMP3 P08254 5/20 0.38
MMP13 P45452 4/20 0.38
MMP2 P08253 2/20 0.38
OXTR P30559 2/20 0.34
CFTR P13569 11/20 0.32
AVPR1A P37288 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4943932 0.84 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4943934 0.84 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4945463 0.84 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4945461 0.84 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4945246 0.80 EPHX2 (0.38) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4943308 0.75 OXTR (0.40) MMP1MMP7MMP3MMP13OXTR
SCHEMBL4943333 0.75 OXTR (0.40) MMP1MMP7MMP3MMP13OXTR
SCHEMBL4943329 0.74 MMP1 (0.41) MMP1MMP7MMP3MMP13OXTR
SCHEMBL4938441 0.74 MMP1 (0.35) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4944190 0.73 MMP1 (0.39) MMP1MMP7MMP3MMP13CFTR

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-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed