SCHEMBL8526542

SCHEMBL8526542

CCC(CC)OCCOCCO.CCCC(C)OCCOCCO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.36
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2268617 0.91 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL261546 0.91 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1004323 0.91 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL31602068 0.89 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL358536 0.89 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1665087 0.89 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1133543 0.85 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL17206861 0.83 TDP1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25363941 0.82 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL3362082 0.82 TSHR (0.52) 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