SCHEMBL28092556

SCHEMBL28092556

OCCOCC(O)OCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL11439282 0.91 HSD17B10 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11280943 0.90 MEN1 (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL8008323 0.90 MEN1 (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6544640 0.87 MEN1 (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6545478 0.87 MEN1 (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6525043 0.87 MEN1 (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11436404 0.87 MEN1 (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9665007 0.86 TSHR (0.38) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11357604 0.85 MEN1 (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7901711 0.84 MEN1 (0.35) TSHRMAPK1MEN1KMT2A

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
CN-105819432-A Novel method for preparing high quality graphene material 临安万杵材料科技有限公司 2016-08-03 CN disclosed