SCHEMBL10834137

SCHEMBL10834137

Cc1ccc(C#CCOc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.52
▸ KCNH2 Q12809 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ LTA4H P09960 5/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 2/20 0.44

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
SCHEMBL10833567 0.88 CA12 (0.61) KCNH2CA12CA1CA2CA7
SCHEMBL12314517 0.88 GRM5 (0.58) GRM5KCNH2CA12CA1CA2
SCHEMBL10834508 0.87 LTA4H (0.58) GRM5KCNH2CA12CA1CA2
SCHEMBL28345910 0.80 CA12 (0.64) GRM5KCNH2CA12CA1CA2
Diphenylether SCHEMBL10632533 0.78 LTA4H (0.57) KCNH2CA12CA1CA2CA7
SCHEMBL10834444 0.78 CA12 (0.51) GRM5CA12CA1CA2CA7
SCHEMBL7510158 0.77 KCNH2 (0.57) GRM5KCNH2CA12CA1CA2
SCHEMBL9999906 0.76 TEAD4 (0.56) GRM5KCNH2CA12CA1CA2
SCHEMBL14394344 0.76 TEAD4 (0.56) GRM5KCNH2CA12CA1CA2
SCHEMBL425356 0.76 HTT (0.69) CA1CA2LTA4HMEN1ALDH1A1

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
US-4607035-A MITICIDES MONTEDISON S.P.A. (IT) 1986-08-19 — — US claimed
US-4607035-A MITICIDES MONTEDISON S.P.A. (IT) 1986-08-19 — — US disclosed
Send feedback