SCHEMBL28425902

SCHEMBL28425902

CC1(C)OB(c2ccc(C(=O)NC3(C(=O)NC4(C#N)CC4)CCCCCC3)cc2)OC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 14/20 0.63
▸ CTSB P07858 13/20 0.48
▸ CTSS P25774 12/20 0.48
▸ CTSK P43235 6/20 0.47
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CTSD P07339 1/20 0.40

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
SCHEMBL28421516 1.00 CTSL (0.63) CTSLCTSBCTSSCTSKCA1
SCHEMBL18615903 0.82 CTSL (0.46) CTSLCTSBCTSSCTSKCA1
SCHEMBL28421665 0.79 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28424711 0.79 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL6184450 0.75 CTSL (0.72) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28427138 0.75 CTSL (0.64) CTSLCTSBCTSSCTSK
SCHEMBL18615954 0.73 CTSL (0.38) CTSLCTSBCTSSCTSKCA1
SCHEMBL22439042 0.71 CA1 (0.41) CTSLCTSBCTSSCA1CA2
SCHEMBL16760259 0.70 LRRK2 (0.37) CTSLCTSBCTSSCTSKCA1
SCHEMBL23693711 0.70 CTSL (0.56) CTSLCTSBCTSSCTSK

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
CN-106928113-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-07-07 — — CN disclosed
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