SCHEMBL4657164

SCHEMBL4657164

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(S)c1cccc2c(CCNC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
NQO2 P16083 1/20 0.46
MAPT P10636 3/20 0.42
NMBR P28336 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
KLK5 Q9Y337 1/20 0.38
TACR1 P25103 1/20 0.38
CASP1 P29466 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3348722 0.76 SYK (0.48) SYKNQO2MAPTTRPM8IDO1
SCHEMBL3348717 0.76 SYK (0.48) SYKNQO2MAPTTRPM8IDO1
SCHEMBL6746741 0.74 LMNA (0.61) MAPTNMBRIDO1KMT2AL3MBTL1
SCHEMBL6924623 0.73 SYK (0.54) SYKNQO2MAPTIDO1KMT2A
SCHEMBL14561127 0.72 SYK (0.61) SYKMAPTCA1CA2IDO1
SCHEMBL3346820 0.72 SYK (0.41) SYKNQO2MAPTIDO1KMT2A
SCHEMBL30063239 0.72 SYK (0.58) SYKMAPTTRPM8KMT2AALDH1A1
SCHEMBL21890682 0.72 SYK (0.58) SYKMAPTTRPM8KMT2AALDH1A1
SCHEMBL3343891 0.72 SYK (0.53) SYKMAPTTRPM8IDO1KMT2A
SCHEMBL14275188 0.71 SYK (0.57) SYKTRPM8ALDH1A1CTSSCTSL

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
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed