SCHEMBL13367276

SCHEMBL13367276

COCCOc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
KLK5 Q9Y337 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
ACACB O00763 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
BCL2 P10415 1/20 0.48
PTPN1 P18031 2/20 0.48
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
YAP1 P46937 1/20 0.46

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
SCHEMBL26250622 1.00 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL18244437 0.97 ITGB3 (0.58) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL27268563 0.97 ITGB3 (0.58) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL27268543 0.97 ITGB3 (0.58) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL18244438 0.97 ITGB3 (0.58) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL27268078 0.97 ITGB3 (0.58) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL9483916 0.92 ITGB3 (0.55) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL9483923 0.92 ITGB3 (0.55) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL15593763 0.91 ITGB3 (0.64) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL4937967 0.91 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1

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
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed