SCHEMBL9738774

SCHEMBL9738774

C=CCOc1ccc(-c2[c]ccc(OCC=C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 7/20 0.39
MAOA P21397 4/20 0.39
GAA P10253 4/20 0.37
MGAM O43451 3/20 0.37

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
SCHEMBL28231902 0.81 CA12 (0.41) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL8532102 0.78 NQO1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9065504 0.76 CA12 (0.57) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL472165 0.76 CA12 (0.57) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL3846804 0.76 MAPT (0.42) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9230402 0.75 ALDH1A1 (0.42) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL920851 0.75 MAPT (0.41) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL15066907 0.75 MAPT (0.41) MAPTMEN1LMNAKMT2ASMN1; SMN2
1,4-Diallyloxybenzene SCHEMBL302448 0.74 CA12 (0.63) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL19856490 0.74 CA12 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2

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
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed