SCHEMBL8684410

SCHEMBL8684410

C=CC[C@H](OCOCc1ccccc1)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.47
▸ CTSL P07711 6/20 0.47
▸ CTSB P07858 5/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CASP1 P29466 1/20 0.41
▸ REN P00797 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL8681567 0.84 CTSB (0.51) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7266686 0.80 CTSB (0.52) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7280270 0.76 CTSB (0.55) CTSSCTSLCTSBCTSKCASP1
SCHEMBL8759915 0.76 CTSB (0.55) CTSSCTSLCTSBCTSKCASP1
SCHEMBL8759866 0.75 CTSB (0.54) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7270921 0.75 CTSB (0.54) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7293547 0.75 CTSB (0.54) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7270917 0.75 CTSB (0.54) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7271139 0.73 CTSL (0.56) CTSSCTSLCTSBCTSKCASP1
SCHEMBL7271134 0.73 CTSL (0.56) CTSSCTSLCTSBCTSKCASP1

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
US-5750696-A HYPOTENSIVE AGENTS JAPAN TOBACCO INC. (JP) 1998-05-12 — — US disclosed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 — — EP disclosed
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