SCHEMBL8005403

SCHEMBL8005403

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1OCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
KLK5 Q9Y337 1/20 0.48
PTPN1 P18031 8/20 0.48
PPARG P37231 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL16315984 1.00 ITGB3 (0.49) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL16119083 0.96 CNR2 (0.54) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL15711960 0.94 ITGB3 (0.49) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL16118744 0.92 ITGB3 (0.48) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL13260767 0.92 ITGB3 (0.48) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL8005589 0.90 ITGB3 (0.61) ITGB3ITGA2BPTPN1PPARGPTGES
SCHEMBL16315983 0.90 ITGB3 (0.61) ITGB3ITGA2BPTPN1PPARGPTGES
SCHEMBL16119167 0.90 CNR2 (0.49) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL14136469 0.88 ITGB3 (0.45) ITGB3ITGA2BCNR2CNR1KLK5
SCHEMBL16119287 0.88 PTPN1 (0.52) ITGB3ITGA2BKLK5PTPN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 US disclosed
WO-2009101616-A9 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-06-24 WO disclosed
WO-2009101616-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-08-20 WO disclosed