SCHEMBL8681567

SCHEMBL8681567

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ REN P00797 8/20 0.47
▸ CASP1 P29466 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CTSD P07339 3/20 0.44
▸ PGA5 P0DJD9 3/20 0.44
▸ CTSE P14091 3/20 0.44
▸ PGC P20142 1/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL7266686 0.87 CTSB (0.52) CTSBCTSLCTSSCTSKREN
SCHEMBL7293547 0.87 CTSB (0.54) CTSBCTSLCTSSCTSKREN
SCHEMBL7270917 0.87 CTSB (0.54) CTSBCTSLCTSSCTSKREN
SCHEMBL7270921 0.87 CTSB (0.54) CTSBCTSLCTSSCTSKREN
SCHEMBL8759866 0.87 CTSB (0.54) CTSBCTSLCTSSCTSKREN
SCHEMBL8684410 0.84 CTSS (0.47) CTSBCTSLCTSSCTSKREN
SCHEMBL9312452 0.83 CTSL (0.52) CTSBCTSLCTSSCTSKREN
SCHEMBL9312089 0.83 CTSL (0.52) CTSBCTSLCTSSCTSKREN
SCHEMBL8759915 0.83 CTSB (0.55) CTSBCTSLCTSSCTSKREN
SCHEMBL7280270 0.81 CTSB (0.55) CTSBCTSLCTSSCTSKCASP1

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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