SCHEMBL2728593

SCHEMBL2728593

COC(=O)[C@H](Cc1ccc(OCCCl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
KLK5 Q9Y337 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
YAP1 P46937 1/20 0.48
BCL2 P10415 1/20 0.48
PTPN1 P18031 2/20 0.47
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 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
SCHEMBL5892285 1.00 ITGB3 (0.60) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL16173545 0.91 ITGB3 (0.56) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL14365476 0.91 ITGB3 (0.56) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL13367276 0.89 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL16815979 0.89 ITGB3 (0.64) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL4937967 0.89 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL5727469 0.89 ITGB3 (0.74) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL15593763 0.89 ITGB3 (0.64) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL4937975 0.89 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL2728905 0.89 ITGB3 (0.74) ITGB3ITGA2BHDAC8BCL2PTPN1

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
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 WO disclosed