SCHEMBL2392482

SCHEMBL2392482

CCOC(=O)CC(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 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SYK P43405 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
ELANE P08246 1/20 0.41
CAPN1 P07384 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PRTN3 P24158 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL3276084 0.90 ATM (0.49) ATMSYKCTSLCTSBCTSS
SCHEMBL1642417 0.87 SYK (0.45) ATMSYKCTSLCTSBCTSS
SCHEMBL13413259 0.82 SYK (0.48) ATMSYKCTSLCTSBCTSS
SCHEMBL13303244 0.80 CTSL (0.48) ATMCTSLCTSBCTSSELANE
SCHEMBL2391974 0.80 CTSL (0.48) ATMCTSLCTSBCTSSELANE
SCHEMBL2392485 0.79 ATM (0.47) ATMSYKCTSLCTSBCTSS
SCHEMBL2501207 0.78 ATM (0.47) ATMCTSLCTSBCTSSELANE
SCHEMBL3646006 0.77 SYK (0.47) ATMSYKCTSLCTSBCTSS
SCHEMBL18157219 0.76 ATM (0.53) ATMSYKCTSLCTSBCTSS
SCHEMBL30550771 0.76 ATM (0.50) ATMSYKCTSLCTSBCTSS

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