SCHEMBL47273

SCHEMBL47273

CCCCOC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.57
CTSS P25774 2/20 0.57
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
SIRT2 Q8IXJ6 6/20 0.55
SIRT1 Q96EB6 6/20 0.55
SIRT3 Q9NTG7 2/20 0.55
FOLH1 Q04609 3/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSK P43235 2/20 0.51

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
SCHEMBL19123985 1.00 CTSL (0.57) CTSLCTSSBCHEACHESIRT2
SCHEMBL18030283 0.96 BCHE (0.57) CTSLCTSSBCHEACHESIRT2
SCHEMBL751179 0.95 CTSL (0.55) CTSLCTSSBCHEACHESIRT2
SCHEMBL254960 0.89 CTSL (0.58) CTSLCTSSBCHEACHESIRT2
SCHEMBL9392638 0.88 CTSL (0.57) CTSLCTSSBCHEACHESIRT2
SCHEMBL16907368 0.88 CTSL (0.60) CTSLCTSSBCHEACHESIRT2
SCHEMBL19325105 0.88 BCHE (0.56) CTSLCTSSBCHEACHESIRT2
SCHEMBL18116765 0.88 BCHE (0.56) CTSLCTSSBCHEACHESIRT2
SCHEMBL3624634 0.88 FOLH1 (0.55) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL3624630 0.88 FOLH1 (0.55) CTSLCTSSSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458188-B2 Efficient peptide couplings and their use in the synthesis and isolation of a cyclopenta (G) quinazoline trisodium salt BTG INTERNATIONAL LIMITED (GB) 2016-10-04 US disclosed
EP-2655398-B1 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT BTG INT LTD (GB) 2016-08-24 EP disclosed
EP-2837384-A1 Glutathione based delivery system Industrial Technology Research Institute (TW) 2015-02-18 EP disclosed
WO-2012087888-A2 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT ONYX PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012003436-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
EP-1891962-A1 Glutathione based delivery system INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-02-27 EP disclosed