SCHEMBL4902448

SCHEMBL4902448

CCCCC(C)(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.42
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.35
SMPD1 P17405 2/20 0.35
AKR1B1 P15121 1/20 0.34
ALOX15 P16050 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL3997959 0.94 FDPS (0.44) FDPSTSHRCYP2D6CYP2C19HIF1A
SCHEMBL28865601 0.92 SMPD1 (0.46) FDPSTSHRSMPD1ALOX15ALDH1A1
SCHEMBL28283891 0.92 SMPD1 (0.46) FDPSTSHRSMPD1ALOX15ALDH1A1
SCHEMBL4905241 0.86 TSHR (0.42) FDPSTSHRCYP2D6CYP2C19HIF1A
SCHEMBL2201929 0.86 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL9175772 0.84 TSHR (0.44) TSHRCYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL9178193 0.84 TSHR (0.44) TSHRCYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL9179888 0.84 TSHR (0.44) TSHRCYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL9344567 0.82 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL11596995 0.82 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894082-B2 Foamable compositions HENKEL CORPORATION (US) 2005-05-17 US claimed
US-20040063800-A1 Foamable compositions HENKEL LOCTITE CORPORATION 2004-04-01 US claimed
WO-2004024807-A1 FOAMABLE COMPOSITIONS HENKEL CORPORATION (US) 2004-03-25 WO claimed
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-6894082-B2 Foamable compositions HENKEL CORPORATION (US) 2005-05-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20040063800-A1 Foamable compositions HENKEL LOCTITE CORPORATION 2004-04-01 US disclosed
WO-2004024807-A1 FOAMABLE COMPOSITIONS HENKEL CORPORATION (US) 2004-03-25 WO disclosed
WO-2003082940-A1 FILM ADHESIVES CONTAINING MALEIMIDE AND RELATED COMPOUNDS AND METHODS FOR USE THEREOF HENKEL CORPORATION (US) 2003-10-09 WO 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