SCHEMBL9301530

SCHEMBL9301530

OCc1ccnc(C2CC(O)CCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL9157144 0.78 CHRNB4 (0.46) CHRNB4CHRNA3
SCHEMBL9159853 0.75
SCHEMBL4305262 0.75 HRH3 (0.38)
SCHEMBL9157591 0.73 SLC5A2 (0.32)
SCHEMBL12524494 0.72 RECQL (0.50) RECQL
SCHEMBL27370536 0.72 PIK3CD (0.44) RECQLIKBKETBK1
SCHEMBL9156445 0.71 CYP11B1 (0.40)
SCHEMBL9303942 0.69 ACHE (0.45) RECQL
SCHEMBL23718482 0.67 SMYD3 (0.35)
SCHEMBL9156618 0.67 PIM1 (0.32)

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
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed