SCHEMBL7768824

SCHEMBL7768824

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
STS P08842 1/20 0.36
MMP13 P45452 4/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
MMP7 P09237 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP2 P08253 2/20 0.36
GAA P10253 1/20 0.35
CACNA1B Q00975 1/20 0.34
ACACB O00763 1/20 0.34
YAP1 P46937 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 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
SCHEMBL7774665 0.85 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL7110470 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7110901 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7105591 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7105628 0.83 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL7112266 0.80 MEN1 (0.40) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL6402029 0.79 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL7110494 0.75 CACNA1B (0.50) KMT2AMEN1CACNA1BYAP1
SCHEMBL7768814 0.75 CACNA1B (0.39) KMT2AMEN1ALDH1A1POLBMMP13
SCHEMBL7110461 0.75 CACNA1B (0.44) KMT2AMEN1CACNA1BYAP1

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