Carabrolactone B

Carabrolactone B

SCHEMBL30040355

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ HTT P42858 5/20 0.54
▸ XBP1 P17861 4/20 0.54
▸ MDM2 Q00987 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ AGTR1 P30556 3/20 0.54
▸ GPR55 Q9Y2T6 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ TERT O14746 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PTGS2 P35354 2/20 0.42
▸ UBE2D3 P61077 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ RECQL P46063 2/20 0.40
▸ THRB P10828 1/20 0.40

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
Carpesiolin SCHEMBL21214080 0.78 MAPT (0.59) MAPTRAB9ANPC1HTTXBP1
Carpesiolin SCHEMBL11891059 0.78 MAPT (0.59) MAPTRAB9ANPC1HTTXBP1
Carpesiolin SCHEMBL23601537 0.78 MAPT (0.59) MAPTRAB9ANPC1HTTXBP1
Carpesiolin SCHEMBL6425398 0.78 MAPT (0.59) MAPTRAB9ANPC1HTTXBP1
Carpesiolin SCHEMBL10099626 0.78 MAPT (0.59) MAPTRAB9ANPC1HTTXBP1
SCHEMBL23266629 0.76 MAPT (0.67) MAPTRAB9ANPC1HTTXBP1
Pseudoguaianolide SCHEMBL31387995 0.75 PTGS2 (0.55) MAPTRAB9ANPC1HTTXBP1
Chamissonolide SCHEMBL23601535 0.72 NPC1 (0.52) MAPTRAB9ANPC1HTTXBP1
Helenalin SCHEMBL161593 0.70 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1
Helenalin SCHEMBL10132557 0.70 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1

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-113214214-B Preparation method and application of terpenoid in Atractylodes lancea 黑龙江中医药大学 2022-10-18 — — CN disclosed
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