SCHEMBL30017207

SCHEMBL30017207

CC1(C)c2ccc3c(c2CC[C@@H]1O)C(=O)C(=O)c1c(CO)coc1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 1.00
▸ TDO2 P48775 15/20 1.00
▸ EED O75530 5/20 0.61
▸ SUZ12 Q15022 5/20 0.61
▸ EZH2 Q15910 5/20 0.61
▸ RBBP4 Q09028 1/20 0.61
▸ RBBP7 Q16576 1/20 0.61
▸ HIF1A Q16665 2/20 0.49
▸ EPAS1 Q99814 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ TERT O14746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49

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
SCHEMBL30923422 0.85 IDO1 (1.00) IDO1TDO2EEDSUZ12EZH2
Przewaquinone A SCHEMBL16152272 0.81 IDO1 (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL14417695 0.76 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL14417701 0.76 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152287 0.76 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152262 0.75 IDO1 (0.60) IDO1TDO2EEDSUZ12EZH2
Tanshinone Iib SCHEMBL14417728 0.67 EED (1.00) IDO1TDO2EEDSUZ12EZH2
Tanshinone Iib SCHEMBL11945767 0.67 EED (1.00) IDO1TDO2EEDSUZ12EZH2
Tanshinone Iia SCHEMBL2026738 0.66 EED (1.00) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152288 0.65 TDP1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117137988-A Traditional Chinese medicine composition and preparation method and application thereof 农安仁济医院 2023-12-01 — — CN disclosed
CN-115212218-A Application of dihydrotanshinone I in inhibiting interaction between blood platelet and tumor cell 天津中医药大学 2022-10-21 — — CN disclosed
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