SCHEMBL31228947

SCHEMBL31228947

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nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL29239574 0.91 PTPN1 (0.59) PTPN1MAPT
SCHEMBL31228857 0.91 PTPN1 (0.59) PTPN1MAPT
Geniposidic Acid SCHEMBL227010 0.88 PTPN1 (0.70) PTPN1MAPT
SCHEMBL29425935 0.88 PTPN1 (0.61) PTPN1MAPT
Ixoside SCHEMBL29474997 0.85 MAPT (0.63) PTPN1MAPT
SCHEMBL31338951 0.84 MAPT (0.63) PTPN1MAPT
SCHEMBL29425885 0.84 MAPT (0.63) PTPN1MAPT
Asperulosidic Acid SCHEMBL422107 0.84 MAPT (0.52) PTPN1MAPT
Asperulosidic Acid SCHEMBL29459346 0.84 MAPT (0.52) PTPN1MAPT
SCHEMBL29425967 0.82 PTPN1 (0.61) PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948925-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 2024-11-15 — — CN disclosed
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