SCHEMBL9774459

SCHEMBL9774459

C=CC(CC)OCCOCCOCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9774397 1.00 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9777432 1.00 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10448114 0.88
SCHEMBL23403884 0.82 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9774401 0.82 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9774405 0.82 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9774433 0.76 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9774450 0.76 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2471475 0.76 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9774411 0.76 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT

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-4987268-A REACTION OF ALKENYL HALIDE WITH ALCOHOLATE HUELS AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed