SCHEMBL8881595

SCHEMBL8881595

CC(C)CC(CC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 2/20 0.59
▸ CTSK P43235 8/20 0.58
▸ CTSS P25774 2/20 0.55
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTRB1 P17538 2/20 0.54
▸ PSMB5 P28074 1/20 0.53
▸ PSMB2 P49721 1/20 0.53
▸ CAPN1 P07384 1/20 0.53

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
SCHEMBL29637193 0.90 CTSK (0.56) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL29637195 0.90 CTSK (0.56) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL25182274 0.89 CTSK (0.61) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL10985006 0.87 CTSK (0.58) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL10985008 0.87 CTSK (0.58) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL2724462 0.86 CTSK (0.61) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL28225820 0.86 CTSK (0.57) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL5724608 0.85 CTSK (0.62) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL13074183 0.85 CTSK (0.64) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL14595271 0.85 CTSK (0.64) PSMB1CTSKCTSSCTSLCTSB

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
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 — — US disclosed
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