SCHEMBL13784232

SCHEMBL13784232

CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)N2CCCCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.43
CTSL P07711 16/20 0.43
CTSS P25774 14/20 0.43
CTSB P07858 4/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CTSV O60911 1/20 0.37

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
SCHEMBL13784263 0.93 CTSK (0.46) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL13784231 0.77 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784220 0.74 CTSK (0.49) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4316707 0.71 CTSS (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6843731 0.70 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784221 0.70 CTSK (0.48) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL13784222 0.69 CTSK (0.47) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL5105622 0.69 MC4R (0.44) CTSKCTSLCTSSCTSB
SCHEMBL4313026 0.68 BCHE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4313021 0.68 BCHE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed