SCHEMBL9035126

SCHEMBL9035126

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
GHSR Q92847 3/20 0.35
KMT2A Q03164 2/20 0.34
CA2 P00918 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G6 O60733 1/20 0.33
MMP9 P14780 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
POLB P06746 1/20 0.32
TACR1 P25103 1/20 0.32
KIF11 P52732 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
SCHEMBL9035133 0.95 ABCB1 (0.39) ABCB1GHSRKMT2ACA2HDAC8
SCHEMBL9033581 0.93 ABCB1 (0.42) ABCB1KMT2AHDAC8GPR119MEN1
SCHEMBL9033839 0.92 KMT2A (0.40) ABCB1KMT2ATACR1
SCHEMBL9032739 0.92 ABCB1 (0.40) ABCB1KMT2AHDAC8GPR119PLA2G4A
SCHEMBL9033588 0.88 ABCB1 (0.40) ABCB1KMT2ACA2HDAC8GPR119
SCHEMBL9034862 0.88 ABCB1 (0.37) ABCB1KMT2AGPR119PLA2G4APLA2G6
SCHEMBL9033882 0.88 ABCB1 (0.42) ABCB1KMT2ACA2HDAC8GPR119
SCHEMBL9033847 0.87 TACR1 (0.40) ABCB1GHSRKMT2APLA2G4APLA2G6
SCHEMBL9032745 0.87 ABCB1 (0.39) ABCB1GHSRKMT2ACA2HDAC8
SCHEMBL9034508 0.86 ABCB1 (0.39) ABCB1KMT2AGPR119PLA2G4APLA2G6

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