SCHEMBL10718705

SCHEMBL10718705

CC(C)CC(CP(C)(=O)C(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 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.46
▸ ANPEP P15144 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ MME P08473 3/20 0.42
▸ ECE1 P42892 3/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CTSS P25774 1/20 0.40

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
SCHEMBL7286158 0.90 MMP2 (0.48) RENANPEPERAP1CTSLMMP2
SCHEMBL7277678 0.88 MME (0.48) CTSLMMP2MMP7MMP9MMP8
SCHEMBL10718613 0.87 CTSL (0.45) RENCTSLMMP2MMP9MMP8
SCHEMBL7274934 0.87 REN (0.45) RENANPEPERAP1CTSLMMP2
SCHEMBL10718460 0.87 REN (0.47) RENANPEPERAP1CTSLMMP2
SCHEMBL7283367 0.86 ACE2 (0.51) RENANPEPERAP1MMP2MMP7
SCHEMBL7284698 0.86 ACE2 (0.51) RENANPEPERAP1MMP2MMP7
SCHEMBL7277008 0.86 REN (0.46) RENANPEPERAP1CTSLMMP9
SCHEMBL7308401 0.86 ECE1 (0.53) RENANPEPERAP1MMP2MMP7
SCHEMBL7283203 0.85 CTSL (0.43) RENCTSLMMP2MMP9MMP8

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-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
EP-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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