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SCHEMBL10724545

SCHEMBL10724545

CC(C)C[C@H](NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)[C@@H](S)CC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.58
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CTSD P07339 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ NMBR P28336 1/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ MMP2 P08253 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
SCHEMBL10722758 1.00 REN (0.58) RENCTSBCTSKCASP3CTSD
SCHEMBL10722764 1.00 REN (0.58) RENCTSBCTSKCASP3CTSD
SCHEMBL10722609 1.00 REN (0.58) RENCTSBCTSKCASP3CTSD
SCHEMBL10722602 1.00 REN (0.58) RENCTSBCTSKCASP3CTSD
SCHEMBL10720899 0.97 REN (0.56) RENCTSBCTSKCASP3CTSD
SCHEMBL10720894 0.97 REN (0.56) RENCTSBCTSKCASP3CTSD
SCHEMBL10724746 0.92 REN (0.56) RENCTSBCTSKCASP3CTSD
SCHEMBL10725374 0.92 REN (0.56) RENCTSBCTSKCASP3CTSD
SCHEMBL10720813 0.92 REN (0.56) RENCTSBCTSKCASP3CTSD
SCHEMBL10720804 0.92 REN (0.56) RENCTSBCTSKCASP3CTSD

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-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
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