SCHEMBL4014089

SCHEMBL4014089

CCC(=O)C(=CC1CCCC1)C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15913328 0.85 GRIK1 (0.33) GRIK1GRIK2NPSR1ALDH1A1
SCHEMBL15913809 0.83 NPSR1 (0.36) GRIK1GRIK2NPSR1EPHX1MAPT
SCHEMBL4014181 0.80 RECQL (0.34)
SCHEMBL4769947 0.79 CES2 (0.39) GRIK1NPSR1SMN1; SMN2
SCHEMBL4769941 0.79 CES2 (0.39) GRIK1NPSR1SMN1; SMN2
SCHEMBL10471561 0.79 NPSR1 (0.33) GRIK1GRIK2NPSR1EPHX1ALDH1A1
SCHEMBL10471560 0.79 NPSR1 (0.33) GRIK1GRIK2NPSR1EPHX1ALDH1A1
SCHEMBL29117806 0.77 GRIK1 (0.41) GRIK1GRIK2NPSR1EPHX1ALDH1A1
SCHEMBL12639567 0.77 GRIK1 (0.41) GRIK1GRIK2NPSR1EPHX1ALDH1A1
SCHEMBL27549573 0.77 GRIK1 (0.41) GRIK1GRIK2NPSR1EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed