SCHEMBL13897101

SCHEMBL13897101

CC(C)(C)OC(=O)N(CCSSC(C)(C)CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL13897075 0.85 DGAT1 (0.33) CA14
SCHEMBL4986712 0.83 HDAC6 (0.37) CA14
SCHEMBL12201068 0.80 CA14 (0.42) CA14
SCHEMBL29139788 0.76 TSHR (0.34) CA14
SCHEMBL17787172 0.74 MEN1 (0.49)
SCHEMBL2128079 0.74 TSHR (0.50) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1626498 0.72 HDAC6 (0.40) CA14
SCHEMBL15083136 0.72 CA14 (0.35) CA14
SCHEMBL16574588 0.72 CTSS (0.31)
SCHEMBL15083257 0.70 CA14 (0.40) CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 US disclosed
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 US disclosed