SCHEMBL7274934

SCHEMBL7274934

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.45
▸ CTSL P07711 1/20 0.43
▸ ANPEP P15144 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ CASP3 P42574 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
▸ MME P08473 5/20 0.41
▸ ECE1 P42892 4/20 0.41
▸ CTSB P07858 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ ACE P12821 2/20 0.39
▸ ACE2 Q9BYF1 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
SCHEMBL7286158 0.90 MMP2 (0.48) RENCTSLANPEPERAP1CASP3
SCHEMBL7277678 0.89 MME (0.48) CTSLMMP2MMP7MMP9MMP8
SCHEMBL10718460 0.88 REN (0.47) RENCTSLANPEPERAP1CASP3
SCHEMBL10718705 0.87 REN (0.46) RENCTSLANPEPERAP1CASP3
SCHEMBL7283203 0.87 CTSL (0.43) RENCTSLCASP3MMP2MMP9
SCHEMBL10718613 0.87 CTSL (0.45) RENCTSLCASP3MMP2MMP9
SCHEMBL7274969 0.86 CTSL (0.45) RENCTSLCASP3MMEECE1
SCHEMBL7277098 0.85 ACE2 (0.51) RENCTSLMMEECE1CTSB
SCHEMBL7283367 0.84 ACE2 (0.51) RENANPEPERAP1MMP2MMP7
SCHEMBL7284698 0.84 ACE2 (0.51) RENANPEPERAP1MMP2MMP7

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