SCHEMBL29066464

SCHEMBL29066464

COc1c(O)cc2c(c1C)C(=O)c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 5/20 0.63
LCK P06239 1/20 0.63
GLA P06280 1/20 0.63
THRB P10828 1/20 0.63
LIMK1 P53667 1/20 0.63
LIMK2 P53671 1/20 0.63
BCL2 P10415 4/20 0.54
MCL1 Q07820 4/20 0.54
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
PIM1 P11309 1/20 0.48
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
USP2 O75604 1/20 0.46
DUSP3 P51452 1/20 0.46
MAOA P21397 3/20 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
SCHEMBL16227041 0.88 MAPT (0.68) MAPTALDH1A1LCKGLATHRB
SCHEMBL18601895 0.86 MAPT (0.65) MAPTALDH1A1LCKGLATHRB
SCHEMBL8341400 0.83 MAPT (0.69) MAPTALDH1A1LCKGLATHRB
SCHEMBL3174840 0.80 BCL2 (0.71) MAPTALDH1A1LCKGLATHRB
SCHEMBL19461410 0.79 MAPT (0.61) MAPTALDH1A1LCKGLATHRB
2-Methoxyanthraquinone SCHEMBL28176342 0.79 MAPT (0.50) MAPTALDH1A1LCKGLATHRB
SCHEMBL4460906 0.78 BCL2 (0.44) MAPTALDH1A1LCKGLATHRB
SCHEMBL6361693 0.78 EPHX2 (0.67) MAPTALDH1A1LCKGLATHRB
SCHEMBL3191867 0.78 EPHX2 (0.57) MAPTALDH1A1LCKGLATHRB
Damnacanthol SCHEMBL16225889 0.78 MAPT (0.63) MAPTALDH1A1LCKGLATHRB

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-115245533-B Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-07-28 CN claimed
CN-116585295-A Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-08-15 CN disclosed
CN-115245533-B Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-07-28 CN disclosed