SCHEMBL9034867

SCHEMBL9034867

CC[C@H](C)[C@H](NCc1ccccc1O)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
GPR119 Q8TDV5 3/20 0.34
PLA2G4A P47712 2/20 0.34
PLA2G6 O60733 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
HTRA1 Q92743 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CA2 P00918 2/20 0.30
TACR1 P25103 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9034862 0.94 ABCB1 (0.37) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9033588 0.92 ABCB1 (0.40) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9033350 0.91 ALDH1A1 (0.35) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9032745 0.90 ABCB1 (0.39) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9034510 0.88 ABCB1 (0.37) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9035133 0.88 ABCB1 (0.39) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9033888 0.86 ABCB1 (0.41) ABCB1GPR119PLA2G4APLA2G6POLB
SCHEMBL9033581 0.86 ABCB1 (0.42) ABCB1GPR119POLBKMT2AMEN1
SCHEMBL9033847 0.86 TACR1 (0.40) ABCB1PLA2G4APLA2G6KMT2APKM
SCHEMBL9034508 0.85 ABCB1 (0.39) ABCB1GPR119PLA2G4APLA2G6POLB

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