SCHEMBL272047

SCHEMBL272047

O=C(CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)NCC(=O)N[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
F2R P25116 6/20 0.46
MMP1 P03956 3/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
F2RL1 P55085 3/20 0.44
ALDH1A1 P00352 1/20 0.44
REN P00797 1/20 0.43
FCER2 P06734 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
CPB2 Q96IY4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL313931 1.00 CTSS (0.48) CTSSCTSLCTSKF2RMMP1
SCHEMBL272048 0.92 CTSS (0.53) CTSSCTSLCTSKMMP1MMP2
SCHEMBL319351 0.92 CTSS (0.53) CTSSCTSLCTSKMMP1MMP2
SCHEMBL12742961 0.87 CTSS (0.55) CTSSCTSLCTSKMMP1MMP2
SCHEMBL12742962 0.86 REN (0.54) CTSSCTSLCTSKMMP1MMP2
SCHEMBL272046 0.81 CTSL (0.57) CTSSCTSLCTSKMMP1MMP2
SCHEMBL12823958 0.81 CTSL (0.57) CTSSCTSLCTSKMMP1MMP2
SCHEMBL265605 0.77 CCR5 (0.39) MMP1MMP2MMP3RENFCER2
SCHEMBL12742970 0.75 CTSS (0.59) CTSSCTSLCTSKMMP1MMP2
SCHEMBL12742964 0.73 MMP1 (0.48) CTSSCTSLCTSKMMP1MMP2

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
US-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed
EP-1864994-A1 PAR-2 AGONIST Kowa Company, Ltd. (JP) 2007-12-12 EP disclosed