SCHEMBL4895391

SCHEMBL4895391

C=Cc1ccc(C(C)(O)CCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CNR2 P34972 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL123079 0.95 TAS1R3 (0.38) ESR1ESR2TAS1R3TAS1R1ALDH1A1
SCHEMBL124305 0.91 ALDH1A1 (0.42) ESR1ESR2TAS1R3TAS1R1ALDH1A1
Styrene SCHEMBL27456644 0.85 ALDH1A1 (0.47) ESR1ESR2TAS1R3TAS1R1ALDH1A1
SCHEMBL24741222 0.84 ALDH1A1 (0.33) TAS1R3TAS1R1ALDH1A1
SCHEMBL449500 0.82 ALDH1A1 (0.44) ESR1ESR2TAS1R3TAS1R1ALDH1A1
SCHEMBL9580960 0.80 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1CYP1A2CHRNB2
SCHEMBL11433609 0.79 ALDH1A1 (0.38) ESR1ESR2TAS1R3TAS1R1ALDH1A1
SCHEMBL1512714 0.79 ALDH1A1 (0.41) ESR1ESR2TAS1R3TAS1R1ALDH1A1
Hydrochloric Acid SCHEMBL29018908 0.78 ESR1 (0.37) ESR1ESR2TAS1R3TAS1R1ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28211108 0.77 TAS1R3 (0.42) TAS1R3TAS1R1CYP1A2CA1CA2

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