SCHEMBL9814470

SCHEMBL9814470

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.59
▸ CTSB P07858 2/20 0.58
▸ CTSK P43235 2/20 0.58
▸ CTSL P07711 1/20 0.58
▸ PREP P48147 2/20 0.57
▸ CCR1 P32246 2/20 0.57
▸ ELANE P08246 2/20 0.50
▸ CMA1 P23946 1/20 0.50
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CTSS P25774 1/20 0.48

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
SCHEMBL9814469 1.00 CAPN1 (0.59) CAPN1CTSBCTSKCTSLPREP
SCHEMBL10607790 0.89 PREP (0.71) CAPN1CTSBCTSKCTSLPREP
SCHEMBL10607793 0.89 PREP (0.71) CAPN1CTSBCTSKCTSLPREP
SCHEMBL12040460 0.87 PREP (0.54) CTSBCTSKCTSLPREPCCR1
SCHEMBL1506251 0.86 ACE (0.61) CAPN1CTSBCTSKCTSLPREP
SCHEMBL10063674 0.86 ACE (0.61) CAPN1CTSBCTSKCTSLPREP
SCHEMBL9814632 0.86 CTSK (0.60) CTSBCTSKCTSLPREPCTSS
SCHEMBL9814636 0.86 CTSK (0.60) CTSBCTSKCTSLPREPCTSS
SCHEMBL9875139 0.85 CAPN1 (0.59) CAPN1CTSBCTSKCTSLPREP
SCHEMBL9875127 0.85 CAPN1 (0.59) CAPN1CTSBCTSKCTSLPREP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201741-B1 DIPEPTIDE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1991-07-31 — — EP disclosed
EP-0154353-B1 AN ANTI-AMNESTIC AGENT KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-11-15 — — EP disclosed
US-4687778-A Anti-amnestic agent KABUSHIKI KAISHA YAKULT HONSHA (JP) 1987-08-18 — — US disclosed
EP-0154353-A2 An anti-amnestic agent KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-09-11 — — EP disclosed
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