SCHEMBL9033581

SCHEMBL9033581

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
ANPEP P15144 1/20 0.37
KMT2A Q03164 3/20 0.36
HDAC8 Q9BY41 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
BACE1 P56817 2/20 0.36
MEN1 O00255 2/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CTRB1 P17538 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL9032739 0.95 ABCB1 (0.40) ABCB1ANPEPKMT2AHDAC8GPR119
SCHEMBL9033588 0.94 ABCB1 (0.40) ABCB1ANPEPKMT2AHDAC8GPR119
SCHEMBL9035126 0.93 ABCB1 (0.40) ABCB1KMT2AHDAC8GPR119MEN1
SCHEMBL9033839 0.93 KMT2A (0.40) ABCB1KMT2ATSHR
SCHEMBL9033882 0.92 ABCB1 (0.42) ABCB1KMT2AHDAC8GPR119MEN1
SCHEMBL9034508 0.91 ABCB1 (0.39) ABCB1KMT2AGPR119MEN1KLK7
SCHEMBL9034862 0.91 ABCB1 (0.37) ABCB1KMT2AGPR119MEN1KLK7
SCHEMBL9034739 0.90 ABCB1 (0.41) ABCB1KMT2AGPR119MEN1KLK7
SCHEMBL9034722 0.90 ABCB1 (0.41) ABCB1KMT2AGPR119MEN1KLK7
SCHEMBL9034729 0.90 ABCB1 (0.41) ABCB1KMT2AGPR119MEN1KLK7

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