SCHEMBL10718460

SCHEMBL10718460

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.47
▸ CTSL P07711 2/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ ANPEP P15144 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ NMBR P28336 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MMP2 P08253 4/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ MMP14 P50281 4/20 0.40
▸ MME P08473 3/20 0.40
▸ ECE1 P42892 3/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP11 P24347 1/20 0.39

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
SCHEMBL7283203 0.91 CTSL (0.43) RENCTSLCASP3CTSSCTSB
SCHEMBL10718613 0.91 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL7274969 0.91 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL7286158 0.90 MMP2 (0.48) RENCTSLCASP3ANPEPERAP1
SCHEMBL7277678 0.89 MME (0.48) CTSLMMP2MMP9MMP8MMP14
SCHEMBL10718426 0.88 CTSL (0.44) RENCTSLNMBRCTSSCTSB
SCHEMBL10718415 0.88 CTSL (0.44) RENCTSLNMBRCTSSCTSB
SCHEMBL7274934 0.88 REN (0.45) RENCTSLCASP3ANPEPERAP1
SCHEMBL10718705 0.87 REN (0.46) RENCTSLCASP3ANPEPERAP1
SCHEMBL10716091 0.85 REN (0.44) RENCTSLCASP3CTSSCTSB

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