Sugi Predict

Sugi Predict / Compounds / SCHEMBL7277008

SCHEMBL7277008

SCHEMBL7277008

CC(C)CC(C[PH](=O)OC(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.46
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38

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
SCHEMBL7286074 0.92 CTSL (0.42) RENCTSLCTSBCTSKCASP3
SCHEMBL10715893 0.89 REN (0.46) RENCTSLCTSBCTSKCASP3
SCHEMBL10757999 0.86 REN (0.43) RENCTSLCTSBCTSKCASP3
SCHEMBL10718705 0.86 REN (0.46) RENCTSLCTSBCTSKCASP3
SCHEMBL10715808 0.84 CTSL (0.44) RENCTSLCTSBCTSKCASP3
SCHEMBL10715871 0.83 CTSS (0.43) RENCTSKCTSS
SCHEMBL7286158 0.83 MMP2 (0.48) RENCTSLCTSBCTSKCASP3
SCHEMBL10716091 0.83 REN (0.44) RENCTSLCTSBCTSKCASP3
SCHEMBL10762553 0.82 CTSL (0.45) RENCTSLCTSBCTSKCASP3
SCHEMBL7303908 0.82 REN (0.49) RENCTSLCTSBCTSKCASP3

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
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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