SCHEMBL28038003

SCHEMBL28038003

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28968594 0.84 ALDH1A1 (0.41) GRIK1GRIK2TSHRALDH1A1LMNA
SCHEMBL7679506 0.82 GRIK1 (0.50) GRIK1GRIK2TSHRALDH1A1
SCHEMBL15303566 0.82 TSHR (0.41) GRIK1GRIK2TSHR
SCHEMBL27557763 0.81 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL27919955 0.80 GRIK1 (0.39) GRIK1GRIK2ALDH1A1
SCHEMBL28931517 0.78 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL8472814 0.77 GRIK1 (0.41) GRIK1GRIK2TSHRALDH1A1
SCHEMBL8472817 0.77 GRIK1 (0.41) GRIK1GRIK2TSHRALDH1A1
SCHEMBL22117432 0.77 MGAM (0.38) GRIK1GRIK2TSHRALDH1A1LMNA
SCHEMBL10652722 0.76 CES1 (0.38) GRIK1GRIK2ALDH1A1

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
CN-105377811-A Cyanostilbenes ROLIC AG 2016-03-02 CN disclosed