SCHEMBL9514296

SCHEMBL9514296

CCOC(=O)C(C)(C)CCOc1cccc(/C=C/c2nc(C(C)C)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.44
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
FBP1 P09467 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.37
PPARA Q07869 2/20 0.37
TLR4 O00206 3/20 0.35
TLR2 O60603 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 3/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL9514304 1.00 ALB (0.44) ALBCYSLTR2CYSLTR1FBP1KDM4E
SCHEMBL9515927 0.89 ALB (0.49) ALBCYSLTR2CYSLTR1KDM4ESMN1; SMN2
SCHEMBL9515938 0.89 ALB (0.49) ALBCYSLTR2CYSLTR1KDM4ESMN1; SMN2
SCHEMBL5778529 0.73 ALB (0.58) ALBKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL5775275 0.71 ALB (0.52) ALBCYSLTR2CYSLTR1FBP1
SCHEMBL5780145 0.70 ALB (0.48) ALBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5779807 0.70 ALB (0.61) ALBFBP1
SCHEMBL5774563 0.69 ALB (0.69) ALBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8304425 0.69 ALB (0.52) ALBKDM4ESMN1; SMN2ALDH1A1APP
SCHEMBL5775071 0.69 ALB (0.60) ALBKDM4ESMN1; SMN2ALDH1A1

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-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed