SCHEMBL10572007

SCHEMBL10572007

CC(C)C[C@H](NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.59
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
MMP8 P22894 3/20 0.57
HRH4 Q9H3N8 1/20 0.46
MME P08473 2/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSS P25774 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL10579060 0.92 REN (0.59) RENMMP2MMP9MMP8
SCHEMBL10576908 0.87 REN (0.62) RENMMP2MMP9MMP8
SCHEMBL7301131 0.84 KMT2A (0.49) REN
SCHEMBL2295759 0.84 KMT2A (0.49) REN
SCHEMBL5709588 0.84 KMT2A (0.49) REN
SCHEMBL7311764 0.84 REN (0.64) RENMMP2MMP9MMP8
SCHEMBL11981992 0.83 REN (0.48) RENMMP2MMP9MMP8
SCHEMBL13840602 0.83 REN (0.48) RENMMP2MMP9MMP8
SCHEMBL10575916 0.83 REN (0.61) RENMMP2MMP9MMP8
SCHEMBL10772819 0.83 MMP2 (0.61) MMP2MMP9MMP8HRH4MME

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-4853463-A Amino acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-08-01 US disclosed
EP-0216539-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1987-04-01 EP disclosed