SCHEMBL272048

SCHEMBL272048

O=C(CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)NCC(=O)N[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSK P43235 1/20 0.53
MMP3 P08254 11/20 0.49
MMP1 P03956 10/20 0.49
MMP2 P08253 10/20 0.49
REN P00797 2/20 0.46
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL319351 1.00 CTSS (0.53) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12742961 0.95 CTSS (0.55) CTSSCTSLCTSKMMP3MMP1
SCHEMBL313931 0.92 CTSS (0.48) CTSSCTSLCTSKMMP3MMP1
SCHEMBL272047 0.92 CTSS (0.48) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12742962 0.91 REN (0.54) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12742964 0.81 MMP1 (0.48) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12823958 0.81 CTSL (0.57) CTSSCTSLCTSKMMP3MMP1
SCHEMBL272046 0.81 CTSL (0.57) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12742970 0.81 CTSS (0.59) CTSSCTSLCTSKMMP3MMP1
SCHEMBL12742973 0.79 MMP3 (0.43) CTSSCTSLCTSKMMP3MMP1

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-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed