SCHEMBL2336741

SCHEMBL2336741

O=C(C(=O)c1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.71
CES1 P23141 10/20 0.71
RAB9A P51151 1/20 0.52
FFAR1 O14842 3/20 0.50
APP P05067 1/20 0.50
GRM5 P41594 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47

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
SCHEMBL6675223 0.98 CES2 (0.68) CES2CES1RAB9AFFAR1APP
SCHEMBL3753633 0.95 CES2 (0.64) CES2CES1FFAR1APPGRM5
SCHEMBL4190711 0.90 CES2 (0.58) CES2CES1RAB9AFFAR1APP
SCHEMBL4196818 0.86 CES2 (0.52) CES2CES1FFAR1APPGRM5
SCHEMBL1195835 0.84 CES2 (1.00) CES2CES1RAB9A
Benzil SCHEMBL4957522 0.84 CES2 (1.00) CES2CES1RAB9A
SCHEMBL13567253 0.84 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL13567255 0.84 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL14584313 0.84 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL1744898 0.84 ALDH1A1 (0.64) RAB9AFFAR1APPGRM5

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
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed
US-20040058058-A1 Prefatory anti-forgery protection and consecutive machine-assisted authentication of genuine documents and other values SHCHEGOLIKHIN ALEXANDER NIKITO (RU) 2004-03-25 US disclosed
US-6610351-B2 Spectroscopy QUANTAG SYSTEMS, INC. 2003-08-26 US disclosed
US-20020025490-A1 Spectroscopy CHROMATIC TECHNOLOGIES, INC. 2002-02-28 US disclosed