SCHEMBL2821042

SCHEMBL2821042

CCCC(CCC)CN(C(=O)O)c1cccc(CCC(O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
CTSS P25774 4/20 0.40
CA2 P00918 1/20 0.36
ATM Q13315 1/20 0.36
ACE P12821 1/20 0.36
CTSB P07858 2/20 0.36
KLK5 Q9Y337 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL2178104 0.87 CTSK (0.46) CTSKCTSSATMACECTSB
SCHEMBL2177717 0.84 CTSK (0.45) CTSKCTSSATMACECTSB
SCHEMBL2818140 0.78 L3MBTL1 (0.50) CTSKCTSS
SCHEMBL2821039 0.77 GPR88 (0.39) CTSKCTSSCA2
SCHEMBL22042132 0.76 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL28108976 0.76 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL27730329 0.76 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL2157516 0.75 MEN1 (0.36) CTSKCA2
SCHEMBL2754724 0.74 CTSK (0.55) CTSKCTSSCA2ATMACE
SCHEMBL2179437 0.71 ITGB1 (0.40) CTSKCA2

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-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed