SCHEMBL28611458

SCHEMBL28611458

COc1ccc(C2(CBr)OCC(C)(C)CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
BACE1 P56817 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
OPRM1 P35372 1/20 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
SCHEMBL11248824 0.85 GRIN1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3900022 0.85 MAOB (0.43) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL9517524 0.82 MAOB (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11246464 0.81 GRIN1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7879750 0.80 GRIN1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11244135 0.78 GRIN1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18287895 0.78 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10852241 0.77 SLC6A2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL919210 0.74 ALDH1A1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL9518055 0.73 MAOB (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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
CN-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 CN disclosed