SCHEMBL9035167

SCHEMBL9035167

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
ABCB1 P08183 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTPN1 P18031 1/20 0.34
NR1H2 P55055 1/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ESRRB O95718 1/20 0.33
ESRRG P62508 1/20 0.33

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
SCHEMBL9033882 0.96 ABCB1 (0.42) CA2ABCB1HTTKMT2AMEN1
SCHEMBL9035172 0.94 ABCB1 (0.39) CA2ABCB1CTSLCTSBKMT2A
SCHEMBL9032739 0.93 ABCB1 (0.40) ABCB1KMT2AMEN1HDAC8POLB
SCHEMBL9032745 0.90 ABCB1 (0.39) CA2ABCB1KMT2AMEN1HDAC8
SCHEMBL9033888 0.90 ABCB1 (0.41) CA2ABCB1KMT2AMEN1HDAC8
SCHEMBL9034024 0.88 ABCB1 (0.39) CA2ABCB1KMT2APOLB
SCHEMBL9033581 0.88 ABCB1 (0.42) ABCB1KMT2AMEN1HDAC8POLB
SCHEMBL9034604 0.87 SMN1; SMN2 (0.41) ABCB1HTTKMT2AMEN1
SCHEMBL9034508 0.87 ABCB1 (0.39) ABCB1KMT2AMEN1POLB
SCHEMBL9035126 0.86 ABCB1 (0.40) CA2ABCB1KMT2AMEN1HDAC8

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