SCHEMBL4908186

SCHEMBL4908186

C=C(C)C(=O)Sc1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1803486 0.88 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL2209411 0.82 CA12 (0.40) CA12CA1CA2CA4CA7
SCHEMBL172361 0.79 ACHE (0.39) CA12CA1CA2CA4CA7
SCHEMBL28480606 0.79 CA12 (0.59) CA12CA1CA2CA4CA7
SCHEMBL7895061 0.79 CA12 (0.38) CA12CA1CA2CA4CA7
SCHEMBL7077223 0.79 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL27233193 0.78 CA12 (0.36) CA12CA1CA2CA4CA7
SCHEMBL27642231 0.78 ACHE (0.47) CA12CA1CA2CA4CA7
SCHEMBL4830564 0.77 ALDH1A1 (0.40) CA12CA1CA2CA4CA7
SCHEMBL9446514 0.77 SIRT1 (0.46) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 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