SCHEMBL20341849

SCHEMBL20341849

C#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(OC6COC6)cc5)cc4o3)CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.38
▸ CTSS P25774 8/20 0.38
▸ CTSB P07858 7/20 0.38
▸ TACR2 P21452 3/20 0.34
▸ CTSK P43235 1/20 0.33
▸ ACACB O00763 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL20341776 0.92 ACACB (0.32) CTSLCTSSCTSBACACB
SCHEMBL18615855 0.84 CTSL (0.36) CTSLCTSSCTSBCTSKACACB
SCHEMBL23810263 0.81 CTSS (0.35) CTSLCTSSCTSBTACR2CTSK
SCHEMBL23810243 0.80 CTSL (0.46) CTSLCTSSCTSBTACR2CTSK
SCHEMBL20341858 0.79 CTSL (0.35) CTSLCTSSCTSBTACR2CTSK
SCHEMBL18616514 0.79 CTSL (0.45) CTSLCTSSCTSBTACR2CTSK
SCHEMBL23810312 0.78 CTSL (0.49) CTSLCTSSCTSBTACR2CTSK
SCHEMBL18616800 0.76 CTSL (0.42) CTSLCTSSCTSBTACR2CTSK
SCHEMBL23810245 0.76 ACACB (0.33) CTSLCTSSCTSBTACR2ACACB
SCHEMBL18616640 0.76 ACACB (0.31) CTSLCTSSCTSBACACB

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
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
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