SCHEMBL28343448

SCHEMBL28343448

COc1cc(COC(=O)OCc2cc(OC)cc(OC)c2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CALM1 P0DP23 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL28889848 0.86 L3MBTL1 (0.46) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL3398453 0.86 ALDH1A1 (0.52) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL1790737 0.84 MAPT (0.41) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL27728499 0.84 KMT2A (0.49) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL112110 0.84 KMT2A (0.44) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL3297937 0.84 ALDH1A1 (0.50) KMT2APOLBALDH1A1L3MBTL1HIF1A
Hydrochloric Acid SCHEMBL29230323 0.84 L3MBTL1 (0.45) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL11472961 0.84 KMT2A (0.47) KMT2APOLBALDH1A1L3MBTL1HIF1A
SCHEMBL31326237 0.81 MMP1 (0.61) KMT2AALDH1A1MTNR1BMEN1
SCHEMBL31314327 0.81 KMT2A (0.42) KMT2APOLBALDH1A1L3MBTL1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN disclosed
CN-110621678-A Antitumor compounds 法马马有限公司 2019-12-27 CN disclosed