SCHEMBL8529485

SCHEMBL8529485

CC(C)(C)OCCOCCO.CCC(C)OCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4840288 0.91 MAPK1 (0.32) MAPK1
SCHEMBL29521285 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13843579 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1004293 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1003042 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8935090 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28140840 0.85 MAPK1 (0.36) MAPK1
SCHEMBL10389811 0.81 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4140630 0.81 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL81017 0.81 MEN1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0886718-A1 OIL AND GAS FIELD CHEMICALS BP Chemicals Limited (GB) 1998-12-30 EP claimed
WO-1997035095-A1 OIL AND GAS FIELD CHEMICALS BP CHEMICALS LIMITED (GB) 1997-09-25 WO claimed