SCHEMBL2392485

SCHEMBL2392485

CCC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
SYK P43405 1/20 0.45
CTSK P43235 4/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
ELANE P08246 2/20 0.42
PRTN3 P24158 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL1642419 0.88 SYK (0.47) ATMSYKCTSKCTSLCTSB
SCHEMBL18157219 0.82 ATM (0.53) ATMSYKCTSKCTSLCTSB
SCHEMBL3276084 0.80 ATM (0.49) ATMSYKCTSKCTSLCTSB
SCHEMBL2391978 0.79 ATM (0.52) ATMSYKCTSKCTSLCTSB
SCHEMBL2392482 0.79 ATM (0.46) ATMSYKCTSKCTSLCTSB
SCHEMBL9789172 0.78 SYK (0.47) ATMSYKCTSKCTSLCTSB
SCHEMBL23455707 0.77 ATM (0.53) ATMSYKCTSKCTSLCTSB
SCHEMBL6487029 0.77 ATM (0.53) ATMSYKCTSKCTSLCTSB
SCHEMBL17352430 0.77 ATM (0.53) ATMSYKCTSKCTSLCTSB
SCHEMBL23455705 0.77 ATM (0.53) ATMSYKCTSKCTSLCTSB

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-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed