SCHEMBL4014754

SCHEMBL4014754

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4008547 0.86 GRIK1 (0.36) GRIK1MAPTHPGD
SCHEMBL5097736 0.80 MMP1 (0.30)
SCHEMBL5097737 0.80 MMP1 (0.30)
SCHEMBL4010131 0.77 SMN1; SMN2 (0.30) MAPT
SCHEMBL9268644 0.76 ALDH1A1 (0.33) MAPT
SCHEMBL7100682 0.73 MAPT (0.30) MAPT
SCHEMBL7104542 0.73 MAPT (0.32) MAPTHPGD
SCHEMBL7104544 0.73 MAPT (0.32) MAPTHPGD
SCHEMBL7100684 0.73 MAPT (0.30) MAPT
SCHEMBL4011240 0.73 TSHR (0.34)

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