SCHEMBL9033968

SCHEMBL9033968

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
KMT2A Q03164 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
CETP P11597 1/20 0.34
POLB P06746 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GHSR Q92847 2/20 0.32
TACR1 P25103 2/20 0.32
PLA2G4A P47712 2/20 0.32
PLA2G6 O60733 1/20 0.32
CFD P00746 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
HTRA1 Q92743 1/20 0.32
HDAC3 O15379 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
SCHEMBL9033332 0.91 ABCB1 (0.37) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9034729 0.89 ABCB1 (0.41) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9034722 0.89 ABCB1 (0.41) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9034739 0.89 ABCB1 (0.41) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9034732 0.89 ABCB1 (0.41) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9032499 0.89 ABCB1 (0.34) ABCB1KMT2APOLBPLA2G4APLA2G6
SCHEMBL9033581 0.87 ABCB1 (0.42) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9033882 0.85 ABCB1 (0.42) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9034508 0.84 ABCB1 (0.39) ABCB1KMT2AKLK7KLK5GPR119
SCHEMBL9033588 0.84 ABCB1 (0.40) ABCB1KMT2AKLK7KLK5GPR119

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