SCHEMBL26240701

SCHEMBL26240701

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nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.49
▸ MAPT P10636 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ XBP1 P17861 2/20 0.41
▸ MDM2 Q00987 2/20 0.41
▸ RECQL P46063 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL22198793 0.84 PTGS2 (0.47) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL29456038 0.79 PTGS2 (0.65) PTGS2MAPTRAB9ANPC1HTT
Pseudoguaianolide SCHEMBL31387995 0.69 PTGS2 (0.55) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL31626700 0.68 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL28044817 0.68 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1HTT
Chamissonolide SCHEMBL23601535 0.67 NPC1 (0.52) PTGS2MAPTRAB9ANPC1HTT
Burrodin SCHEMBL30072218 0.66 PTGS2 (1.00) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL22198791 0.66 PTGS2 (0.51) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL6424628 0.66 PTGS2 (0.53) PTGS2MAPTRAB9ANPC1HTT
SCHEMBL29096257 0.65 NPC1 (0.59) PTGS2MAPTRAB9ANPC1HTT

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
US-11752450-B2 Selective extraction method for natural substances D-NATURE CO., LTD. (KR) 2023-09-12 — — US disclosed
US-11752450-B2 Selective extraction method for natural substances D-NATURE CO., LTD. (KR) 2023-09-12 — — US disclosed
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