SCHEMBL9034862

SCHEMBL9034862

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCc1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
GPR119 Q8TDV5 3/20 0.34
POLB P06746 1/20 0.33
PLA2G4A P47712 2/20 0.32
PLA2G6 O60733 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
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
REN P00797 2/20 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
SCHEMBL9034867 0.94 ABCB1 (0.35) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9033581 0.91 ABCB1 (0.42) ABCB1GPR119POLBKMT2AMEN1
SCHEMBL9033347 0.91 ALDH1A1 (0.37) ABCB1GPR119PLA2G4AATM
SCHEMBL9032739 0.90 ABCB1 (0.40) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9034508 0.88 ABCB1 (0.39) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9035126 0.88 ABCB1 (0.40) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9034732 0.87 ABCB1 (0.41) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9034729 0.87 ABCB1 (0.41) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9034722 0.87 ABCB1 (0.41) ABCB1GPR119POLBPLA2G4APLA2G6
SCHEMBL9034739 0.87 ABCB1 (0.41) ABCB1GPR119POLBPLA2G4APLA2G6

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