SCHEMBL15539797

SCHEMBL15539797

COc1cc2oc(=O)cc(CC(NC(=O)OC(C)(C)C)C(=O)O)c2cc1CC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.43
▸ CTSK P43235 10/20 0.43
▸ CTSL P07711 4/20 0.41
▸ CTSB P07858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ACE P12821 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL5622971 0.79 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16715180 0.74 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16715181 0.74 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13713834 0.74 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13713840 0.72 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7281071 0.71 ACE (0.48) CTSSCTSKACESMN1; SMN2ITGA4
SCHEMBL13741165 0.71 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL20281115 0.70 SLC17A5 (0.61) MEN1KMT2A
SCHEMBL31327597 0.70 AAK1 (0.48) CTSSCTSKACEITGA4ITGB7
SCHEMBL8650368 0.70 SCN9A (0.52) CTSSCTSKMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013188607-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 — — WO disclosed
WO-2013188635-A2 NOVEL METHODS OF IDENTIFYING PROTEINS VIA N-TERMINAL TAGGING AND SELECTIVE PULL-DOWN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 — — WO disclosed
Send feedback