SCHEMBL20558709

SCHEMBL20558709

Cc1[c]c(C)cc(Cl)c1.[MgH2]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL491447 0.97
SCHEMBL28496763 0.86 TSHR (0.35) TSHR
SCHEMBL15067862 0.82 TSHR (0.37) TSHRALDH1A1
SCHEMBL220802 0.82
SCHEMBL18203766 0.78
SCHEMBL2348023 0.78
SCHEMBL457285 0.78
SCHEMBL4195061 0.75 TSHR (0.30) TSHR
SCHEMBL4197669 0.75 TSHR (0.30) TSHR
SCHEMBL23531515 0.73 ALDH1A1 (0.37) TSHRALDH1A1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774719-A1 PROCESS FOR PRODUCING 2,6-DIALKYLPHENYL ACETIC ACIDS Bayer Aktiengesellschaft (DE) 2021-02-17 EP disclosed
WO-2019197232-A1 PROCESS FOR PRODUCING 2,6-DIALKYLPHENYL ACETIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO disclosed
EP-3402775-A1 METHOD FOR THE PREPARATION OF SUBSTITUTED 2-ARYL-ETHANOLS Bayer CropScience Aktiengesellschaft (DE) 2018-11-21 EP disclosed