SCHEMBL2729447

SCHEMBL2729447

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KLK5 Q9Y337 1/20 0.45
CTSS P25774 7/20 0.45
CTSK P43235 6/20 0.45
HDAC8 Q9BY41 1/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
PTPN1 P18031 3/20 0.42
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCL2 P10415 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40

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
SCHEMBL2729449 0.84 ITGB3 (0.50) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL20437145 0.83 ITGB3 (0.52) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL2728593 0.81 ITGB3 (0.60) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL5892285 0.81 ITGB3 (0.60) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL14365476 0.81 ITGB3 (0.56) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL16173545 0.81 ITGB3 (0.56) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL20397680 0.79 KLK5 (0.53) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL16134507 0.79 ITGB3 (0.56) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL5408855 0.78 PPARG (0.57) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL5408845 0.78 PPARG (0.57) ITGB3ITGA2BKLK5CTSSCTSK

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