SCHEMBL8916002

SCHEMBL8916002

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CP(=O)(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.62
▸ CTSK P43235 9/20 0.59
▸ MME P08473 1/20 0.58
▸ ECE1 P42892 1/20 0.58
▸ CTSL P07711 5/20 0.58
▸ CTSS P25774 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ HTRA1 Q92743 1/20 0.56

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
SCHEMBL8710241 0.89 CAPN1 (0.61) CAPN1CTSKMMEECE1CTSL
Hydrochloric Acid SCHEMBL6828093 0.89 CAPN1 (0.60) CAPN1CTSKMMEECE1CTSL
SCHEMBL8710235 0.87 CAPN1 (0.60) CAPN1CTSKMMEECE1CTSL
Hydrochloric Acid SCHEMBL6828092 0.86 CAPN1 (0.59) CAPN1CTSKMMEECE1CTSL
SCHEMBL6828393 0.85 CAPN1 (0.63) CAPN1CTSKMMEECE1CTSL
SCHEMBL6828391 0.85 CAPN1 (0.58) CAPN1CTSKMMEECE1CTSL
SCHEMBL6828119 0.84 CAPN1 (0.62) CAPN1CTSKMMEECE1CTSL
SCHEMBL7312774 0.83 CAPN1 (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7312791 0.83 CAPN1 (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL6825605 0.83 CAPN1 (0.63) CAPN1CTSKCTSLCTSSCTSB

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-5639732-A FOR TREATING NERVOUS SYSTEM DISORDERS OR AS ANTIINFLAMMATORY AGENT CEPHALON, INC. (US) 1997-06-17 — — US disclosed
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