SCHEMBL9033343

SCHEMBL9033343

CC[C@H](C)[C@H](NC(C)c1ccccc1)C(=O)NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
PLA2G4A P47712 2/20 0.35
PLA2G6 O60733 1/20 0.35
POLB P06746 1/20 0.35
VHL P40337 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TACR1 P25103 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
HTRA1 Q92743 1/20 0.32
CTSK P43235 3/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL9035897 0.91 ABCB1 (0.35) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9033588 0.88 ABCB1 (0.40) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9034510 0.88 ABCB1 (0.37) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9033336 0.87 ABCB1 (0.37) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9034024 0.86 ABCB1 (0.39) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9033888 0.86 ABCB1 (0.41) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9034138 0.86 PLA2G4A (0.36) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9032745 0.85 ABCB1 (0.39) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9034729 0.85 ABCB1 (0.41) ABCB1PLA2G4APLA2G6POLBKMT2A
SCHEMBL9034732 0.85 ABCB1 (0.41) ABCB1PLA2G4APLA2G6POLBKMT2A

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