SCHEMBL31626700

SCHEMBL31626700

C=C1C(=O)OC2C[C@H](C)C3C[C@H](O)[C@H](O)[C@@]3(C)CC12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.59
▸ MAPT P10636 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ XBP1 P17861 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ MDM2 Q00987 3/20 0.51
▸ PKM P14618 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.43
▸ TERT O14746 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL28044817 1.00 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL6424628 0.84 PTGS2 (0.53) PTGS2MAPTRAB9ANPC1XBP1
Pseudoguaianolide SCHEMBL31387995 0.83 PTGS2 (0.55) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL29456038 0.81 PTGS2 (0.65) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL30047291 0.77 PTGS2 (0.47) PTGS2MAPTRAB9ANPC1XBP1
Burrodin SCHEMBL30072218 0.74 PTGS2 (1.00) PTGS2MAPTRAB9ANPC1XBP1
Graveolide SCHEMBL31279270 0.74 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
Confertin SCHEMBL30139341 0.74 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL2102873 0.72 PTGS2 (0.51) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL29359310 0.72 PTGS2 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133913-A1 CONCOMITANT ADMINISTRATION OF OILS FOR MANAGING NEURODEGENERATIVE DISEASES AND DEVELOPMENTAL DISORDERS UNIVERSIDAD DE CUENCA (EC) 2025-06-26 — — WO disclosed
WO-2025133916-A1 TURMERIC OIL ESSENTIAL-OIL BISABOLENE SESQUITERPENOIDS IN THE TREATMENT OF NON-NEURODEGENERATIVE DISEASES UNIVERSIDAD DE CUENCA (EC) 2025-06-26 — — WO disclosed
US-20250195545-A1 CONCOMITANT ADMINISTRATION OF OILS FOR MANAGING NEURODEGENERATIVE DISEASES AND DEVELOPMENTAL DISORDERS UNIVERSIDAD DE CUENCA (EC) 2025-06-19 — — US disclosed
US-20250195601-A1 TURMERIC OIL ESSENTIAL-OIL BISABOLENE SESQUITERPENOIDS IN THE TREATMENT OF NON-NEURODEGENERATIVE DISEASES UNIVERSIDAD DE CUENCA (EC) 2025-06-19 — — US disclosed
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