SCHEMBL262468

SCHEMBL262468

CC(=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTRB1 P17538 2/20 0.42
CTSL P07711 6/20 0.41
CTSB P07858 3/20 0.41
CTSS P25774 3/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CTSK P43235 4/20 0.39
ELANE P08246 2/20 0.39
PRTN3 P24158 1/20 0.39
CASP1 P29466 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL264174 0.88 SYK (0.47) SYKCTRB1CTSLCTSBCTSS
SCHEMBL5724195 0.88 SYK (0.52) SYKCTRB1CTSLCTSBCTSS
SCHEMBL264320 0.85 SYK (0.44) SYKCTRB1CTSLCTSBCTSS
SCHEMBL2796597 0.85 SYK (0.44) SYKCTRB1CTSLCTSBCTSS
SCHEMBL2796603 0.85 SYK (0.44) SYKCTRB1CTSLCTSBCTSS
SCHEMBL5724356 0.84 SYK (0.49) SYKCTRB1CTSLCTSBCTSS
SCHEMBL5724348 0.84 SYK (0.57) SYKCTRB1CTSLCTSBCTSS
SCHEMBL262927 0.84 SYK (0.47) SYKCTRB1CTSLCTSBCTSS
SCHEMBL262466 0.83 CTSL (0.44) SYKCTRB1CTSLCTSBCTSS
SCHEMBL262467 0.83 CTSL (0.44) SYKCTRB1CTSLCTSBCTSS

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-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed