SCHEMBL9033336

SCHEMBL9033336

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NC(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 3/20 0.36
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HTRA1 Q92743 1/20 0.34
CTDSP1 Q9GZU7 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

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
SCHEMBL9035892 0.91 ABCB1 (0.37) ABCB1KMT2AMEN1POLBHTRA1
SCHEMBL9034732 0.90 ABCB1 (0.41) ABCB1KMT2AMEN1POLBHTRA1
SCHEMBL9034722 0.90 ABCB1 (0.41) ABCB1KMT2AMEN1POLBHTRA1
SCHEMBL9034739 0.90 ABCB1 (0.41) ABCB1KMT2AMEN1POLBHTRA1
SCHEMBL9034729 0.90 ABCB1 (0.41) ABCB1KMT2AMEN1POLBHTRA1
SCHEMBL9034024 0.89 ABCB1 (0.39) ABCB1KMT2APOLBPLA2G4APLA2G6
SCHEMBL9034508 0.88 ABCB1 (0.39) ABCB1KMT2AMEN1POLBCTSK
SCHEMBL9033581 0.87 ABCB1 (0.42) ABCB1KMT2AMEN1POLBCTSK
SCHEMBL9033343 0.87 ABCB1 (0.35) ABCB1KMT2AMEN1POLBCTSK
SCHEMBL9033806 0.86 ABCB1 (0.37) ABCB1KMT2AMEN1POLBALDH1A1

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