SCHEMBL5317106

SCHEMBL5317106

CCCNCC(O)COc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 4/20 0.51
▸ ADRB2 P07550 3/20 0.51
▸ ADRB1 P08588 3/20 0.51
▸ ATM Q13315 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ABCB1 P08183 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48

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
SCHEMBL8338317 0.92 ADRB3 (0.51) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL20436123 0.82 ADRB3 (0.54) ADRB3ADRB2ADRB1ATMCA12
SCHEMBL10769168 0.82 ADRB3 (0.54) ADRB3ADRB2ADRB1ATMCA12
SCHEMBL11922778 0.82 MEN1 (0.68) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL5317103 0.81 PTGS1 (0.68) ADRB3ADRB2ADRB1CYP1A2MEN1
SCHEMBL31126368 0.81 PTGS1 (0.68) ADRB3ADRB2ADRB1CYP1A2MEN1
SCHEMBL10694902 0.81 ALDH1A1 (0.62) ATMCYP1A2KMT2A
Hydrochloric Acid SCHEMBL10345932 0.81 MEN1 (0.67) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL10551178 0.80 ADRB2 (0.67) ADRB3ADRB2ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL31111430 0.80 MAPT (0.68) ADRB3ADRB2ADRB1CYP1A2MEN1

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
WO-2007069266-A2 A NOVEL PROCESS FOR THE SYNTHESIS OF BISODPROLOL AND ITS INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-06-21 — — WO disclosed
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