SCHEMBL4908049

SCHEMBL4908049

C=Cc1ccccc1COCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
MAOB P27338 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
IDO1 P14902 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX5 P09917 1/20 0.34
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL252296 0.82 ALDH1A1 (0.43) TSHRIDO1ALDH1A1
SCHEMBL9193908 0.81 ALDH1A1 (0.36) TDP1L3MBTL1ALDH1A1
SCHEMBL9193381 0.81 ALDH1A1 (0.36) TDP1L3MBTL1ALDH1A1
SCHEMBL9544583 0.80 L3MBTL1 (0.35) HTR1ADRD2TDP1L3MBTL1ALDH1A1
SCHEMBL4906826 0.79 KDM4E (0.37) L3MBTL1NPC1ALDH1A1
SCHEMBL2404989 0.78 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL5073359 0.78 MAPT (0.45) HTR1ADRD2MAOBTDP1MAOA
Phenol SCHEMBL9818392 0.77 TDP1 (0.41) CA1CA2CA9TSHRTDP1
SCHEMBL759640 0.77 ALDH1A1 (0.40) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL7768640 0.77 ALDH1A1 (0.33) ALDH1A1

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 9 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
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO 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