SCHEMBL7709740

SCHEMBL7709740

CC(=CC(C)C)C(=O)O.CCCC=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.40
GRIK2 Q13002 2/20 0.40
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK5 Q16478 2/20 0.34
GRIA1 P42261 1/20 0.34
CD81 P60033 2/20 0.34
EP300 Q09472 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL7709729 1.00 GRIK1 (0.40) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL1594946 0.89 EP300 (0.43) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL1594942 0.89 EP300 (0.43) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL23311 0.85
SCHEMBL23310 0.85
SCHEMBL10387626 0.85
Hydrochloric Acid SCHEMBL9902111 0.83 GRIK1 (0.42) GRIK1GRIK2CD81EP300ALDH1A1
Hydrochloric Acid SCHEMBL9902118 0.83 GRIK1 (0.42) GRIK1GRIK2CD81EP300ALDH1A1
SCHEMBL5072777 0.83 GRIK1 (0.42) GRIK1GRIK2CD81EP300ALDH1A1
Fluoride SCHEMBL27600923 0.83 GRIK1 (0.42) GRIK1GRIK2CD81EP300ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376559-B1 SILICA SOL IN SOLVENT BASF NOF COATINGS CO., LTD. (JP) 2002-04-23 US disclosed
US-5922633-A THERMAL LATENT ACID CATALYST CONSISTS OF AN EPOXY COMPOUND, A SULFUR COMPOUND AND LEWIS ACID NOF CORPORATION (JP) 1999-07-13 US disclosed