SCHEMBL29239574

SCHEMBL29239574

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(COC(C)=O)=CCC12

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.59
▸ STAT3 P40763 8/20 0.58
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL31228857 1.00 PTPN1 (0.59) PTPN1STAT3MEN1MAPTKMT2A
Genameside D SCHEMBL29425843 0.91 PTPN1 (0.60) PTPN1STAT3
SCHEMBL31228947 0.91 PTPN1 (0.57) PTPN1MAPT
Geniposide SCHEMBL21765150 0.90 PTPN1 (0.70) PTPN1STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL17776267 0.90 PTPN1 (0.70) PTPN1STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL16264978 0.90 PTPN1 (0.70) PTPN1STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL28006822 0.90 PTPN1 (0.70) PTPN1STAT3MEN1MAPTKMT2A
SCHEMBL29425955 0.89 PTPN1 (0.57) PTPN1STAT3MEN1MAPTKMT2A
SCHEMBL29425967 0.89 PTPN1 (0.61) PTPN1STAT3MEN1MAPTKMT2A
SCHEMBL29425894 0.88 PTPN1 (0.59) PTPN1STAT3

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-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 — — CN claimed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 — — CN disclosed
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