SCHEMBL18615931

SCHEMBL18615931

CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(C6(O)CCC6)cc5)cc4o3)CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.36
▸ CTSK P43235 3/20 0.36
▸ TACR2 P21452 2/20 0.35
▸ CTSL P07711 7/20 0.34
▸ CTSB P07858 7/20 0.34
▸ PDE7B Q9NP56 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ERAP1 Q9NZ08 2/20 0.31

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
SCHEMBL20341767 0.90 ABL1 (0.37) PDE7BRAB9A
SCHEMBL18615930 0.86 CTSL (0.46) CTSSCTSKTACR2CTSLCTSB
SCHEMBL20341766 0.84 TACR2 (0.36) CTSSCTSKTACR2CTSLCTSB
SCHEMBL18615884 0.81 CTSL (0.44) CTSSCTSKTACR2CTSLCTSB
SCHEMBL18616483 0.81 CTSL (0.44) CTSSCTSKTACR2CTSLCTSB
SCHEMBL23810294 0.79 TACR2 (0.35) CTSSCTSKTACR2CTSLCTSB
SCHEMBL18616609 0.79 CTSL (0.45) CTSSCTSKTACR2CTSLCTSB
SCHEMBL18615883 0.79 CTSL (0.45) CTSSCTSKTACR2CTSLCTSB
SCHEMBL23810234 0.79 CTSL (0.42) CTSSCTSKTACR2CTSLCTSB
SCHEMBL20341809 0.77 PDE7B (0.37) PDE7BRAB9A

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
WO-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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