SCHEMBL6961625

SCHEMBL6961625

CC(C)C[C@H](OC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
ATM Q13315 2/20 0.45
REN P00797 2/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
APP P05067 2/20 0.43
AAK1 Q2M2I8 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL13816316 0.82 SYK (0.56) SYKATMCTSSCTSLCTSB
SCHEMBL825959 0.82 ATM (0.55) SYKATMCTSSCTSLCTSB
SCHEMBL3825012 0.82 ATM (0.55) SYKATMCTSSCTSLCTSB
SCHEMBL1186455 0.82 ATM (0.55) SYKATMCTSSCTSLCTSB
SCHEMBL1185840 0.80 SYK (0.57) SYKATMCTSSCTSLCTSB
SCHEMBL21974545 0.79 SYK (0.56) SYKATMCTSSCTSLCTSB
SCHEMBL6973478 0.79 CTSL (0.45) SYKCTSSCTSLCTSBCTSK
SCHEMBL990242 0.77 CTSS (0.53) SYKATMCTSSCTSLCTSB
Trifluoroacetic Acid SCHEMBL7348672 0.76 SYK (0.53) SYKATMRENCTSSCTSL
SCHEMBL7408378 0.76 ATM (0.54) SYKATMCTSSCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869786-B1 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6376230-B1 Stereoselective process for producing intermediates of cryptophycins ELI LILLY AND COMPANY 2002-04-23 US disclosed
WO-2000034252-A2 PROCESS FOR THE PREPARATION OF CRYPTOPHYCIN DERIVATIVES ELI LILLY AND COMPANY (US) 2000-06-15 WO disclosed