SCHEMBL8005589

SCHEMBL8005589

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.61
ITGA2B P08514 3/20 0.61
PTPN1 P18031 6/20 0.53
ACE P12821 1/20 0.53
PPARG P37231 3/20 0.52
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
ITGA4 P13612 3/20 0.47
ITGB1 P05556 1/20 0.47
ITGB7 P26010 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16315983 1.00 ITGB3 (0.61) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL8005403 0.90 ITGB3 (0.49) ITGB3ITGA2BPTPN1PPARGPTGES
SCHEMBL15711960 0.90 ITGB3 (0.49) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL16315984 0.90 ITGB3 (0.49) ITGB3ITGA2BPTPN1PPARGPTGES
SCHEMBL7310540 0.90 ACE (0.56) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL15111629 0.87 ITGB3 (0.54) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL15111628 0.87 ITGB3 (0.54) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL16119287 0.87 PTPN1 (0.52) ITGB3ITGA2BPTPN1ACEPPARG
SCHEMBL6685168 0.86 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEITGA4
SCHEMBL6998950 0.86 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEITGA4

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 4 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-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed
WO-2005121070-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed