SCHEMBL9034138

SCHEMBL9034138

CC[C@H](C)[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.36
PLA2G6 O60733 1/20 0.36
ABCB1 P08183 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
HTRA1 Q92743 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA2 P00918 2/20 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
SCHEMBL9034134 0.89 ABCB1 (0.38) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9033588 0.87 ABCB1 (0.40) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9034510 0.87 ABCB1 (0.37) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9035897 0.86 ABCB1 (0.35) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9033343 0.86 ABCB1 (0.35) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9033888 0.85 ABCB1 (0.41) PLA2G4APLA2G6ABCB1KMT2APOLB
SCHEMBL9032745 0.84 ABCB1 (0.39) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9034722 0.84 ABCB1 (0.41) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9034739 0.84 ABCB1 (0.41) PLA2G4APLA2G6ABCB1KDM4EPKM
SCHEMBL9034729 0.84 ABCB1 (0.41) PLA2G4APLA2G6ABCB1KDM4EPKM

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
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed