SCHEMBL7656344

SCHEMBL7656344

N#Cc1cccc(C(=O)OOC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.59
LMNA P02545 1/20 0.59
GSK3B P49841 2/20 0.54
TYMS P04818 1/20 0.46
VNN1 O95497 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
S1PR3 Q99500 1/20 0.44
KAT6A Q92794 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
GRM5 P41594 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7650287 0.95 GSK3B (0.59) F2LMNAGSK3BTYMSVNN1
SCHEMBL8385880 0.90 P4HB (0.56) F2LMNAVNN1KAT6AALDH1A1
SCHEMBL5652166 0.90 GSK3B (0.54) F2LMNAGSK3BTYMSVNN1
SCHEMBL5652160 0.84 GSK3B (0.59) GSK3BTYMSVNN1CLK1DYRK1A
SCHEMBL8394217 0.83 PRSS1 (0.54) GSK3BTYMSTDP1PRSS1ACR
SCHEMBL30444713 0.81 MRGPRX4 (0.56) GSK3BGPR139GRM5TSHR
SCHEMBL6972463 0.81 GSK3B (0.56) GSK3BTYMSVNN1CLK1DYRK1A
SCHEMBL60040 0.81 MRGPRX4 (0.56) GSK3BGPR139GRM5TSHR
SCHEMBL17460156 0.81 GSK3B (0.56) GSK3BTYMSVNN1CLK1DYRK1A
Cycloheptane SCHEMBL8390435 0.80 GSK3B (0.43) F2LMNAGSK3BTYMSCLK1

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
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
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