SCHEMBL9768407

SCHEMBL9768407

CN(C)CC(O)COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
HIF1A Q16665 2/20 0.45
ALK Q9UM73 3/20 0.41
TOP2A P11388 4/20 0.39
CDK4 P11802 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9768425 0.85 ADRB2 (0.46)
SCHEMBL9768420 0.83 PARP1 (0.50) HTT
SCHEMBL9768406 0.81 SMN1; SMN2 (0.52) ALKHTT
SCHEMBL10338976 0.79 ALDH1A1 (0.41) CDK4HTT
SCHEMBL10668875 0.79 KCNA3 (0.44) ALK
SCHEMBL9781524 0.78 KMT2A (0.42) HTT
SCHEMBL9768414 0.78 ADRB2 (0.47)
SCHEMBL9768415 0.77 XDH (0.55) ALK
SCHEMBL10614432 0.77 ALDH1A1 (0.45) HIF1AHTT
SCHEMBL10667568 0.76 ALDH1A1 (0.51) HTT

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-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed