SCHEMBL2177717

SCHEMBL2177717

CC(C)(C)OC(=O)NC(O)CCc1cccc(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.45
CTSS P25774 4/20 0.45
AKT1 P31749 2/20 0.42
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.41
BACE1 P56817 2/20 0.40
CTSB P07858 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
KLK5 Q9Y337 2/20 0.40
CTSL P07711 1/20 0.40
PTGES O14684 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 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
SCHEMBL2178104 0.95 CTSK (0.46) CTSKCTSSAKT1ATMACE
SCHEMBL2821042 0.84 CTSK (0.40) CTSKCTSSATMACECTSB
SCHEMBL28108976 0.82 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL22042132 0.82 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL27730329 0.82 CTSK (0.62) CTSKCTSSATMACECTSB
SCHEMBL2818140 0.81 L3MBTL1 (0.50) CTSKCTSSPPARGPPARA
SCHEMBL2177713 0.79 BACE1 (0.44) CTSKCTSSAKT1BACE1CTSB
SCHEMBL2754724 0.78 CTSK (0.55) CTSKCTSSATMACECTSB
SCHEMBL15789261 0.76 NR1H4 (0.48) NR1H4PPARA
SCHEMBL15789270 0.76 NR1H4 (0.51) NR1H4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed