SCHEMBL9035892

SCHEMBL9035892

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.35
PLA2G4A P47712 2/20 0.34
HTRA1 Q92743 1/20 0.34
PLA2G6 O60733 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CFD P00746 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TACR1 P25103 3/20 0.31
REN P00797 1/20 0.31
CTSD P07339 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MEN1 O00255 2/20 0.31
ATM Q13315 1/20 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
SCHEMBL9033336 0.91 ABCB1 (0.37) ABCB1POLBKMT2APLA2G4AHTRA1
SCHEMBL9034732 0.90 ABCB1 (0.41) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9034739 0.90 ABCB1 (0.41) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9034722 0.90 ABCB1 (0.41) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9034729 0.90 ABCB1 (0.41) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9034508 0.88 ABCB1 (0.39) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9035897 0.87 ABCB1 (0.35) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9033581 0.87 ABCB1 (0.42) ABCB1KLK7KLK5POLBKMT2A
SCHEMBL9034024 0.86 ABCB1 (0.39) ABCB1POLBKMT2APLA2G4APLA2G6
SCHEMBL9033882 0.86 ABCB1 (0.42) ABCB1KLK7KLK5POLBKMT2A

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