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SCHEMBL10715893

SCHEMBL10715893

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.46
▸ CTSL P07711 6/20 0.42
▸ NMBR P28336 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CTSK P43235 1/20 0.40
▸ SIRT5 Q9NXA8 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
SCHEMBL10757999 0.95 REN (0.43) RENCTSLNMBRCASP3CTSS
SCHEMBL7277008 0.89 REN (0.46) RENCTSLCASP3CTSSCTSB
SCHEMBL7286074 0.88 CTSL (0.42) RENCTSLNMBRCASP3CTSS
SCHEMBL10718460 0.84 REN (0.47) RENCTSLNMBRCASP3CTSS
SCHEMBL10716091 0.84 REN (0.44) RENCTSLCASP3CTSSCTSB
SCHEMBL10715808 0.82 CTSL (0.44) RENCTSLNMBRCASP3CTSS
SCHEMBL10762553 0.82 CTSL (0.45) RENCTSLNMBRCASP3CTSS
SCHEMBL10718613 0.82 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL7286352 0.81 CTSL (0.44) RENCTSLCASP3CTSSCTSB
SCHEMBL10718584 0.81 REN (0.46) RENCTSLNMBRCASP3CTSS

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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