SCHEMBL9033332

SCHEMBL9033332

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
TACR1 P25103 3/20 0.33
PLA2G4A P47712 2/20 0.32
PLA2G6 O60733 1/20 0.32
CFD P00746 1/20 0.32
HTRA1 Q92743 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HCRTR2 O43614 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GHSR Q92847 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
NR1H2 P55055 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
SCHEMBL9033968 0.91 ABCB1 (0.40) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9034722 0.90 ABCB1 (0.41) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9034729 0.90 ABCB1 (0.41) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9034739 0.90 ABCB1 (0.41) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9034732 0.90 ABCB1 (0.41) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9032499 0.87 ABCB1 (0.34) ABCB1POLBKMT2APLA2G4APLA2G6
SCHEMBL9034508 0.86 ABCB1 (0.39) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9033581 0.84 ABCB1 (0.42) ABCB1POLBKMT2AKLK7KLK5
SCHEMBL9035892 0.84 ABCB1 (0.37) ABCB1POLBKMT2ATACR1PLA2G4A
SCHEMBL9033336 0.84 ABCB1 (0.37) ABCB1POLBKMT2ATACR1PLA2G4A

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