SCHEMBL8528943

SCHEMBL8528943

CC(C)(C)OCCO.CCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
HSD17B10 Q99714 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
Di(Hydroxyethyl)Ether SCHEMBL4838775 0.91 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL20398411 0.89 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL967075 0.86 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10389811 0.86 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4140630 0.86 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL81017 0.86 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9809110 0.84 HSD17B10 (0.33) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8528940 0.84 HSD17B10 (0.33) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11591546 0.84 HSD17B10 (0.33) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4838782 0.84 HSD17B10 (0.33) 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