SCHEMBL30970627

SCHEMBL30970627

O=C1OC(=O)c2c(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc6c5C(=O)OC6=O)cc4)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL10889793 0.89 TDP1 (0.43) HTTSMN1; SMN2TDP1L3MBTL1GAPDH
SCHEMBL31104976 0.89 TDP1 (0.43) HTTSMN1; SMN2TDP1L3MBTL1GAPDH
SCHEMBL24946583 0.87 TDP1 (0.41) HTTSMN1; SMN2TDP1L3MBTL1GAPDH
SCHEMBL30930078 0.87 TDP1 (0.41) HTTSMN1; SMN2TDP1L3MBTL1GAPDH
SCHEMBL31019584 0.84 TDP1 (0.39) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL22304634 0.84 TDP1 (0.39) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL2828512 0.82 ALOX15 (0.45) HTTSMN1; SMN2TDP1PTGS2GAPDH
SCHEMBL261809 0.80 TDP1 (0.48) HTTSMN1; SMN2TDP1CA1CA2
SCHEMBL31228169 0.80 TDP1 (0.48) HTTSMN1; SMN2TDP1CA1CA2
SCHEMBL23776321 0.79 TDP1 (0.40) HTTSMN1; SMN2TDP1ALOX15POLB

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
WO-2024114613-A1 ALLOY NEGATIVE ELECTRODE MATERIAL AND PREPARATION METHOD THEREFOR, NEGATIVE ELECTRODE MATERIAL SYSTEM, NEGATIVE ELECTRODE SHEET AND LITHIUM-ION BATTERY 华为技术有限公司 2024-06-06 — — WO claimed
WO-2024114613-A1 ALLOY NEGATIVE ELECTRODE MATERIAL AND PREPARATION METHOD THEREFOR, NEGATIVE ELECTRODE MATERIAL SYSTEM, NEGATIVE ELECTRODE SHEET AND LITHIUM-ION BATTERY 华为技术有限公司 2024-06-06 — — WO disclosed
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