SCHEMBL1628484

SCHEMBL1628484

C/C=C(/CC1CO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5715996 1.00 GRIK1 (0.36) GRIK1GRIK2ALDH1A1CYP1A2CYP2D6
SCHEMBL1899378 1.00 GRIK1 (0.36) GRIK1GRIK2ALDH1A1CYP1A2CYP2D6
SCHEMBL7261603 0.83 GRIK1 (0.45) GRIK1GRIK2
SCHEMBL7261601 0.83 GRIK1 (0.45) GRIK1GRIK2
SCHEMBL5184534 0.82 GRIK1 (0.42) GRIK1GRIK2ALDH1A1
SCHEMBL2879626 0.82 GRIK1 (0.42) GRIK1GRIK2ALDH1A1
SCHEMBL29393811 0.81 MGLL (0.44) ALDH1A1
SCHEMBL16556075 0.81 KDM4E (0.45) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4449754 0.81 KDM4E (0.45) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4448640 0.81 KDM4E (0.45) CYP1A2CYP2D6CYP2C9CYP2C19

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-20110114259-A1 HYBRID-FUNCTIONAL POLYMERS SIKA TECHNOLOGY AG (CH) 2011-05-19 US disclosed
US-7927772-B2 Pigment, a dispersant, a solvent, a polymerizable compound, a photopolymerization initiator; solvents having different boiling temperatures, improving dispersion stability, film thickness uniformity, smooth pattern without any irregularities, without any residue when exposing and developing. FUJIFILM CORPORATION (JP) 2011-04-19 US disclosed