SCHEMBL7651777

SCHEMBL7651777

O=C(OOC(=O)c1ccc(Br)s1)c1ccc(Br)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
DAO P14920 1/20 0.61
GSK3B P49841 2/20 0.55
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RXFP1 Q9HBX9 3/20 0.48
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ESR1 P03372 2/20 0.47
MEN1 O00255 4/20 0.45
PPARG P37231 2/20 0.45
ALOX12 P18054 1/20 0.45
NCOA2 Q15596 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL70702 0.83 DAO (0.63) CES2CES1DAOGSK3BHPGD
SCHEMBL1244072 0.78 CES2 (0.73) CES2CES1DAOGSK3BHPGD
SCHEMBL5043396 0.78 CES2 (0.53) CES2CES1DAOGSK3BHPGD
SCHEMBL64687 0.78 HDAC3 (0.58) CES2CES1DAOGSK3BHPGD
SCHEMBL23407055 0.77 NPSR1 (0.50) CES2CES1DAOGSK3BHPGD
SCHEMBL3958438 0.77 HDAC3 (0.57) CES2CES1DAOGSK3BHPGD
SCHEMBL28383825 0.77 CES2 (0.52) CES2CES1DAOGSK3BHPGD
SCHEMBL71972 0.76
SCHEMBL28513694 0.75 CES2 (0.50) CES2CES1DAOGSK3BHPGD
SCHEMBL10390082 0.75 NPC1 (0.51) CES2CES1DAOGSK3BHPGD

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-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed