SCHEMBL5355876

SCHEMBL5355876

CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
ACKR3 P25106 1/20 0.38
SRC P12931 1/20 0.38
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GHSR Q92847 1/20 0.37
MCL1 Q07820 4/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4841915 0.93 CACNA1B (0.59) CACNA1BKMT2AMEN1HRH3ACKR3
SCHEMBL5352649 0.92 KMT2A (0.48) CACNA1BKMT2AMEN1SRCALDH1A1
SCHEMBL5361323 0.86 CACNA1B (0.61) CACNA1BHRH3TACR1ALDH1A1
SCHEMBL5350136 0.85 CACNA1B (0.71) CACNA1BKMT2AMEN1HRH3SRC
SCHEMBL4843256 0.85 CACNA1B (0.57) CACNA1BKMT2AHRH3SRCTACR1
SCHEMBL5361820 0.85 CACNA1B (0.51) CACNA1BGHSRMCL1HDAC8
SCHEMBL5350467 0.84 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5349400 0.84 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5345730 0.84 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5345749 0.84 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP disclosed