SCHEMBL28845339

SCHEMBL28845339

Cc1cc2c(cc1C)-c1occ(C)c1C(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 7/20 1.00
POR P16435 7/20 1.00
EED O75530 5/20 0.51
SUZ12 Q15022 5/20 0.51
EZH2 Q15910 5/20 0.51
MAPT P10636 3/20 0.51
CES2 O00748 2/20 0.51
POLB P06746 2/20 0.51
CES1 P23141 2/20 0.51
PTPN6 P29350 2/20 0.51
PTPN11 Q06124 2/20 0.51
HIF1A Q16665 2/20 0.51
NSD1 Q96L73 2/20 0.51
EPAS1 Q99814 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM1A O60341 1/20 0.51
BLM P54132 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
IDO1 P14902 7/20 0.46
TDO2 P48775 6/20 0.46

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
SCHEMBL5940235 0.82 NQO1 (1.00) NQO1POREEDSUZ12EZH2
SCHEMBL5940497 0.82 NQO1 (1.00) NQO1POREEDSUZ12EZH2
SCHEMBL24119166 0.80 NQO1 (0.72) NQO1POREEDSUZ12EZH2
SCHEMBL5940262 0.79 NQO1 (0.68) NQO1POREEDSUZ12EZH2
SCHEMBL24119167 0.77 NQO1 (0.68) NQO1POREEDSUZ12EZH2
SCHEMBL8189008 0.72 NQO1 (0.75) NQO1POREEDSUZ12EZH2
SCHEMBL10459823 0.71 NQO1 (0.59) NQO1POREEDSUZ12EZH2
SCHEMBL9751019 0.71 NQO1 (0.54) NQO1PORMAPTCES2POLB
SCHEMBL14417735 0.69 EED (0.71) NQO1POREEDSUZ12EZH2
Tanshinone I SCHEMBL14993883 0.68 TDP1 (1.00) NQO1POREEDSUZ12EZH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115054608-A Application of cryptotanshinone substances and combination composition thereof 澳门大学 2022-09-16 CN claimed
CN-115054608-B Cryptotanshinone substance and application of combined composition thereof 澳门大学 2023-11-03 CN disclosed
CN-115054608-A Application of cryptotanshinone substances and combination composition thereof 澳门大学 2022-09-16 CN disclosed