SCHEMBL30151485

SCHEMBL30151485

C[C@@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H](O)[C@]2(C)C(=O)C=C[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ HTT P42858 5/20 0.58
▸ POLB P06746 4/20 0.58
▸ XBP1 P17861 4/20 0.58
▸ MDM2 Q00987 4/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ AGTR1 P30556 3/20 0.58
▸ GPR55 Q9Y2T6 3/20 0.58
▸ TERT O14746 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PTGS2 P35354 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PAX8 Q06710 1/20 0.47
▸ RECQL P46063 4/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL30899614 1.00 MAPT (0.58) MAPTRAB9ANPC1HTTPOLB
SCHEMBL6423690 1.00 MAPT (0.58) MAPTRAB9ANPC1HTTPOLB
SCHEMBL30555815 0.83 MAPT (0.64) MAPTRAB9ANPC1HTTPOLB
SCHEMBL27014677 0.81 MAPT (0.51) MAPTRAB9ANPC1HTTPOLB
SCHEMBL25363305 0.81 MAPT (0.51) MAPTRAB9ANPC1HTTPOLB
Brevilin A SCHEMBL27014670 0.80 MAPT (0.52) MAPTRAB9ANPC1HTTPOLB
SCHEMBL27014666 0.80 MAPT (0.55) MAPTRAB9ANPC1HTTPOLB
Brevilin A SCHEMBL27014668 0.80 MAPT (0.52) MAPTRAB9ANPC1HTTPOLB
SCHEMBL9975665 0.78 MAPT (0.48) MAPTRAB9ANPC1HTTPOLB
SCHEMBL27014729 0.78 MAPT (0.51) MAPTRAB9ANPC1HTTPOLB

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
WO-2024123165-A1 OPHTHALMIC FORMULATION FOR TOPICAL USE CONTAINING HELENALIN, 11Α,13-DIHYDRO HELENALIN AND FLAVONOIDS FROM ARNICA MONTANA EXTRACT AND SODIUM HYALURONATE, AND USE THEREOF BY HUMANS TO TREAT DRY EYE SYNDROME CENTRO DE RETINA MÉDICA Y QUIRÚRGICA, S.C. (MX) 2024-06-13 — — WO disclosed
US-20220409518-A1 EMU Oil In Combination With Other Active Ingredients For Treating Skin Imperfections DESAI, KETAN 2022-12-29 — — US disclosed
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