SCHEMBL7600439

SCHEMBL7600439

C=CCC(C(=O)O)C(CC)(CC=C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CPA1 P15085 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
SCHEMBL7600436 0.80 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL3153113 0.74 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL27585279 0.74 MMP1 (0.39) GRIK1GRIK2ALDH1A1TSHRCPA1
SCHEMBL5936799 0.73 GRIK1 (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL8940604 0.72 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8731754 0.72 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL29901369 0.71 ALDH1A1 (0.38) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL9785440 0.71 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1
SCHEMBL17757012 0.71 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1
SCHEMBL5420620 0.71 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462200-B1 THE USE OF PROTECTIVE BIODEGRADABLE COATINGS FOR PREVENTING THE DEPOSIT OF OVERSPRAY RHODIA OPERATIONS (FR) 2015-11-11 EP claimed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP disclosed
US-6071846-A OLEFIN POLYMERIZATION CATALYST WHICH ALLOWS A POLYOLEFIN TO HAVE HIGH STEREOREGULARITY AND HIGH POLYMERIZATION ACTIVITY; SOLID TITANIUM CATALYST COMPONENT COMPRISES A MAGNESIUM ATOM, TITANIUM ATOM, HALOGEN ATOM AND ELECTRON DONOR TOKUYAMA CORPORATION (JP) 2000-06-06 US disclosed
EP-0739907-B1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORP (JP) 1999-12-01 EP disclosed
EP-0739907-A1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORPORATION (JP) 1996-10-30 EP disclosed