SCHEMBL9045828

SCHEMBL9045828

[CH2]CCCc1c(C)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRM2 P08172 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL9047499 0.90 SMN1; SMN2 (0.45) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9827505 0.83 SMN1; SMN2 (0.42) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL14341464 0.83 ALOX5 (0.49) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9047911 0.82 L3MBTL1 (0.41) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL9046813 0.82 HTR2A (0.41) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9045048 0.82 L3MBTL1 (0.45) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL198681 0.82 CYP2A6 (0.38) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL4961769 0.81 ALOX5 (0.42) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9046757 0.81 PTGS2 (0.44) SMN1; SMN2ALOX5PTGS2MAPTKDM4E
SCHEMBL9047165 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed