Pseudoguaianolide

Pseudoguaianolide

SCHEMBL31387995

C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CC[C@H](O)[C@@]3(C)C[C@H]12

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.55
▸ MAPT P10636 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ XBP1 P17861 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ MDM2 Q00987 3/20 0.50
▸ PKM P14618 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ UBE2D3 P61077 1/20 0.44
▸ TERT O14746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL31626700 0.83 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL28044817 0.83 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL6424628 0.80 PTGS2 (0.53) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL29456038 0.80 PTGS2 (0.65) PTGS2MAPTRAB9ANPC1XBP1
Confertin SCHEMBL30139341 0.75 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
Graveolide SCHEMBL31279270 0.75 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
Carabrolactone B SCHEMBL30040355 0.75 MAPT (0.54) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL30047291 0.74 PTGS2 (0.47) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL30402377 0.73 MAPT (0.55) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL23106991 0.71 MAPT (0.49) PTGS2MAPTRAB9ANPC1XBP1

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-119405576-A Whitening composition containing ginseng and pomegranate and application thereof 北京青颜博识健康管理有限公司 2025-02-11 — — CN disclosed
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