SCHEMBL262467

SCHEMBL262467

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.44
SYK P43405 1/20 0.43
CTRB1 P17538 2/20 0.42
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KYNU Q16719 1/20 0.39
CTSK P43235 2/20 0.39
MBOAT4 Q96T53 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
SCHEMBL262466 1.00 CTSL (0.44) CTSLSYKCTRB1CTSBCTSS
SCHEMBL2796603 0.92 SYK (0.44) CTSLSYKCTRB1CTSBCTSS
SCHEMBL2796597 0.92 SYK (0.44) CTSLSYKCTRB1CTSBCTSS
SCHEMBL264320 0.88 SYK (0.44) CTSLSYKCTRB1CTSBCTSS
SCHEMBL264174 0.87 SYK (0.47) CTSLSYKCTRB1CTSBCTSS
SCHEMBL5724195 0.87 SYK (0.52) CTSLSYKCTRB1CTSBCTSS
SCHEMBL5724356 0.84 SYK (0.49) CTSLSYKCTRB1CTSBCTSS
SCHEMBL5724348 0.84 SYK (0.57) CTSLSYKCTRB1CTSBCTSS
SCHEMBL262468 0.83 SYK (0.44) CTSLSYKCTRB1CTSBCTSS
SCHEMBL263531 0.83 SYK (0.47) CTSLSYKCTRB1CTSBCTSS

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