Sugi Predict

Sugi Predict / Compounds / SCHEMBL10722579

SCHEMBL10722579

SCHEMBL10722579

CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.65
▸ PSMB1 P20618 1/20 0.62
▸ CTSK P43235 3/20 0.56
▸ CTSB P07858 1/20 0.56
▸ CTSD P07339 1/20 0.55
▸ CASP3 P42574 1/20 0.52
▸ CAPN1 P07384 1/20 0.51

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
SCHEMBL10722573 1.00 REN (0.65) RENPSMB1CTSKCTSBCTSD
SCHEMBL10721046 0.92 REN (0.62) RENPSMB1CTSKCTSBCASP3
SCHEMBL10721056 0.92 REN (0.62) RENPSMB1CTSKCTSBCASP3
SCHEMBL10773764 0.92 REN (0.70) RENCTSKCTSBCTSD
SCHEMBL10721005 0.90 REN (0.63) RENPSMB1CTSKCTSBCTSD
SCHEMBL10720998 0.90 REN (0.63) RENPSMB1CTSKCTSBCTSD
SCHEMBL10866469 0.90 REN (0.60) RENPSMB1CTSKCTSBCTSD
SCHEMBL10978493 0.90 REN (0.63) RENPSMB1CTSKCTSBCTSD
SCHEMBL10724728 0.89 REN (0.59) RENPSMB1CTSKCTSBCTSD
SCHEMBL10724731 0.89 REN (0.59) RENPSMB1CTSKCTSBCTSD

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-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed