SCHEMBL799849

SCHEMBL799849

CCC(O)COC1CCC(C(C)(C)C2CCC(OC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14189023 0.94 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL15501642 0.86 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL18905053 0.86 TSHR (0.52) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL12134363 0.83 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL8527682 0.83 MEN1 (0.63) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL9192395 0.83 MEN1 (0.63) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL9191531 0.83 MEN1 (0.63) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL15255523 0.82 MEN1 (0.43) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL4753133 0.81 MEN1 (0.42) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL11030338 0.81 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1TSHR

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-20120070594-A1 HYDROGENATED BISPHENOL-A-BASED POLYMERS AS SUBSTITUTES FOR BISPHENOL-A-BASED POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2012-03-22 US disclosed