SCHEMBL7675256

SCHEMBL7675256

CC[C@H](OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)(C)C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CTSD P07339 1/20 0.48
CTSK P43235 4/20 0.46
CTSB P07858 3/20 0.46
CTSL P07711 4/20 0.45
CTSS P25774 4/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SYK P43405 1/20 0.43
ELANE P08246 2/20 0.42
PRTN3 P24158 1/20 0.42
CA5A P35218 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL7787406 0.86 CTSB (0.51) CTSKCTSBCTSLCTSSMEN1
SCHEMBL3739178 0.83 ATM (0.55) ATMCTSDCTSKCTSBCTSL
SCHEMBL3736148 0.82 ATM (0.54) ATMCTSDCTSKCTSBCTSL
SCHEMBL23750671 0.81 ATM (0.58) ATMCTSDCTSKCTSBCTSL
SCHEMBL3732044 0.81 ATM (0.58) ATMCTSDCTSKCTSBCTSL
SCHEMBL7104331 0.81 ATM (0.57) ATMCTSDCTSKCTSBCTSL
SCHEMBL7104334 0.81 ATM (0.57) ATMCTSDCTSKCTSBCTSL
SCHEMBL3731721 0.81 ATM (0.57) ATMCTSDCTSKCTSBCTSL
SCHEMBL3739194 0.79 ATM (0.60) ATMCTSDCTSKCTSBCTSL
SCHEMBL3726951 0.79 ATM (0.50) ATMCTSDCTSKCTSBCTSL

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-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed