SCHEMBL7286158

SCHEMBL7286158

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.48
▸ MMP9 P14780 5/20 0.48
▸ MMP8 P22894 5/20 0.48
▸ MMP14 P50281 5/20 0.48
▸ ANPEP P15144 2/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ REN P00797 3/20 0.46
▸ MME P08473 5/20 0.46
▸ ECE1 P42892 4/20 0.46
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.43
▸ ACE P12821 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MMP11 P24347 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL7277678 0.92 MME (0.48) MMP2MMP9MMP8MMP14MMP7
SCHEMBL7277213 0.91 REN (0.44) MMP2MMP9MMP8ANPEPERAP1
SCHEMBL7274934 0.90 REN (0.45) MMP2MMP9MMP8MMP14ANPEP
SCHEMBL10718705 0.90 REN (0.46) MMP2MMP9MMP8MMP14ANPEP
SCHEMBL10718460 0.90 REN (0.47) MMP2MMP9MMP8MMP14ANPEP
SCHEMBL7274969 0.89 CTSL (0.45) RENMMEECE1CTSBCTSK
SCHEMBL7283203 0.88 CTSL (0.43) MMP2MMP9MMP8MMP14REN
SCHEMBL7284698 0.88 ACE2 (0.51) MMP2MMP9MMP8MMP14ANPEP
SCHEMBL7283367 0.88 ACE2 (0.51) MMP2MMP9MMP8MMP14ANPEP
SCHEMBL10718613 0.88 CTSL (0.45) MMP2MMP9MMP8MMP14REN

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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