SCHEMBL28656923

SCHEMBL28656923

CS(=O)(=O)c1ccc(-c2ccc3oc(C(=O)NC4(C(=O)NC5(C#N)CC5)CCCCC4)cc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 9/20 0.45
▸ CTSB P07858 15/20 0.39
▸ CTSS P25774 13/20 0.39
▸ CTSK P43235 12/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSF Q9UBX1 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
SCHEMBL18616546 0.93 CTSL (0.45) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18616651 0.93 CTSL (0.45) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18615881 0.92 CTSL (0.46) CTSLCTSBCTSSCTSKCTSV
SCHEMBL28644393 0.88 CTSL (0.42) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18615940 0.86 CTSL (0.45) CTSLCTSBCTSSCTSK
SCHEMBL18616591 0.85 CTSL (0.46) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18616590 0.85 CTSC (0.41) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18615992 0.84 CTSL (0.40) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18615942 0.84 CTSK (0.41) CTSLCTSBCTSSCTSKCTSV
SCHEMBL18616543 0.84 CTSL (0.43) CTSLCTSBCTSSCTSKCTSV

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-106478564-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-11-12 — — CN disclosed
Send feedback