SCHEMBL7656493

SCHEMBL7656493

O=C(OOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.70
CES1 P23141 1/20 0.70
TP53 P04637 1/20 0.68
TSHR P16473 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 5/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
POLB P06746 2/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
ALOX5 P09917 1/20 0.60
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL5395968 0.90 ALDH1A1 (0.63) CES2CES1TP53TSHRALDH1A1
SCHEMBL4721013 0.89 CES2 (0.70) CES2CES1TP53TSHRALDH1A1
SCHEMBL828959 0.87 TSHR (0.69) CES2CES1TP53TSHRALDH1A1
SCHEMBL27479603 0.86 ALDH1A1 (0.58) CES2CES1TP53TSHRALDH1A1
SCHEMBL7013007 0.86 CES2 (0.66) CES2CES1TP53TSHRALDH1A1
SCHEMBL17297123 0.86 TSHR (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL1572442 0.86 MEN1 (0.76) CES2CES1TP53TSHRALDH1A1
SCHEMBL31103641 0.86 MEN1 (0.76) CES2CES1TP53TSHRALDH1A1
SCHEMBL3666192 0.86 TSHR (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL27903047 0.86 CES2 (0.66) CES2CES1TP53TSHRALDH1A1

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