SCHEMBL29539317

SCHEMBL29539317

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(O)CCC2(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.77
▸ TDO2 P48775 7/20 0.77
▸ EED O75530 5/20 0.63
▸ SUZ12 Q15022 5/20 0.63
▸ EZH2 Q15910 5/20 0.63
▸ HIF1A Q16665 2/20 0.63
▸ EPAS1 Q99814 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ CES2 O00748 1/20 0.63
▸ APAF1 O14727 1/20 0.63
▸ TERT O14746 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ AKR1B1 P15121 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ALOX12 P18054 1/20 0.63

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
Tanshinone Iia SCHEMBL2026738 0.78 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL30923422 0.76 IDO1 (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL14417695 0.75 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL14417701 0.75 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152287 0.75 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152326 0.73 EED (0.78) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152261 0.72 IDO1 (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16023776 0.72 EED (0.65) IDO1TDO2EEDSUZ12EZH2
SCHEMBL30978884 0.71 IDO1 (0.61) IDO1TDO2EEDSUZ12EZH2
Tanshinone Iib SCHEMBL14417728 0.71 EED (1.00) IDO1TDO2EEDSUZ12EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021812-A Nidaminib targeting compositions 北京睿创康泰医药研究院有限公司 2024-05-14 — — CN claimed
CN-118252882-A Traditional Chinese medicine for treating scar 保定市第五医院(保定市莲池区中心医院) 2024-06-28 — — CN disclosed
CN-118206613-A Refining method of tanshinone IIA analogue 上海上药第一生化药业有限公司 2024-06-18 — — CN disclosed
CN-118021812-A Nidaminib targeting compositions 北京睿创康泰医药研究院有限公司 2024-05-14 — — CN disclosed
CN-112098563-B Detection method for chemical components of kidney-tonifying and blood-activating formula 中国中医科学院望京医院(中国中医科学院骨伤科研究所) 2022-07-15 — — CN disclosed
CN-114392298-A Double-fermentation extraction process and preparation method of salvia miltiorrhiza root and cotton rose hibiscus leaf 云南柏脉生物科技有限公司昆明分公司 2022-04-26 — — CN disclosed
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