SCHEMBL7774665

SCHEMBL7774665

COc1ccc(CC(SNC(=O)[C@@H](C)NC(=O)[C@@H]2C[S+]([O-])CN2C(=O)OC(C)(C)C)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1B Q00975 2/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
MCL1 Q07820 4/20 0.35
ACACB O00763 1/20 0.34
GAA P10253 1/20 0.34
MMP13 P45452 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL7110470 0.86 MEN1 (0.43) MEN1KMT2ACACNA1BALDH1A1LMNA
SCHEMBL7105591 0.86 MEN1 (0.43) MEN1KMT2ACACNA1BALDH1A1LMNA
SCHEMBL7110901 0.86 MEN1 (0.43) MEN1KMT2ACACNA1BALDH1A1LMNA
SCHEMBL7768824 0.85 KMT2A (0.42) MEN1KMT2ACACNA1BALDH1A1LMNA
SCHEMBL7105628 0.84 MEN1 (0.45) MEN1KMT2ACACNA1BALDH1A1LMNA
SCHEMBL7112266 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL7110494 0.78 CACNA1B (0.50) MEN1KMT2ACACNA1BMCL1
SCHEMBL7768814 0.78 CACNA1B (0.39) MEN1KMT2ACACNA1BALDH1A1POLB
SCHEMBL7109484 0.77 USP21 (0.40) MEN1KMT2ACACNA1BMCL1
SCHEMBL7111673 0.77 YAP1 (0.46) CACNA1BMCL1PSMB8PSMB5

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-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed