SCHEMBL10969199

SCHEMBL10969199

COC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.72
▸ CTSB P07858 6/20 0.67
▸ CTSL P07711 6/20 0.67
▸ CTSS P25774 1/20 0.66
▸ CTSK P43235 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ TACR1 P25103 2/20 0.64

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
SCHEMBL17959489 1.00 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL17959487 1.00 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL10971243 0.95 CAPN1 (0.67) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL10784747 0.92 CAPN1 (0.64) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30819309 0.91 CTSL (0.65) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL9088735 0.91 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL5484209 0.91 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL10967811 0.91 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL31397615 0.91 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7281206 0.91 CAPN1 (0.72) CAPN1CTSBCTSLCTSSCTSK

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-4496540-A Therapeutic compounds BIOMEASURE, INC. (US) 1985-01-29 — — US disclosed
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