SCHEMBL28575416

SCHEMBL28575416

N#Cc1ccc(O[C@@H]2COC[C@@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.44
▸ ABL1 P00519 2/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.40
▸ TRPC6 Q9Y210 1/20 0.38
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 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
SCHEMBL1872331 0.79 ALK (0.47) ABL1
SCHEMBL1872329 0.79 ALK (0.47) ABL1
SCHEMBL1872326 0.79 ALK (0.47) ABL1
SCHEMBL24658444 0.79 ALK (0.47) ABL1
SCHEMBL923604 0.79 MAPT (0.49) ABL1
SCHEMBL923605 0.79 MAPT (0.49) ABL1
SCHEMBL7139304 0.77 AR (0.41) —
SCHEMBL8372105 0.76 PRKAG1 (0.43) HRH3TRPV4TRPC6
SCHEMBL923714 0.75 ALDH1A1 (0.50) ABL1PARP10
SCHEMBL923715 0.75 ALDH1A1 (0.50) ABL1PARP10

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-108440251-B Method for photo/nickel concerted catalysis of monoarylation diol 陕西师范大学 2021-01-01 — — CN disclosed
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