SCHEMBL31051333

SCHEMBL31051333

C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTL Q8NG68 5/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPC6 Q9Y210 3/20 0.39
▸ TRPC3 Q13507 1/20 0.38
▸ PRKCA P17252 1/20 0.34
▸ TAS2R31 P59538 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
Scopadiol SCHEMBL16610408 0.91 TTL (0.44) TTLLMNACYP3A4MEN1TP53
Scoparic Acid A SCHEMBL30621453 0.81 MAPT (0.42) TTLLMNACYP3A4MEN1TP53
Scoparic Acid A SCHEMBL31051329 0.81 MAPT (0.42) TTLLMNACYP3A4MEN1TP53
Scoparic Acid A SCHEMBL16610421 0.81 MAPT (0.42) TTLLMNACYP3A4MEN1TP53
SCHEMBL14552920 0.79 TP53 (0.43) TTLLMNACYP3A4MEN1TP53
SCHEMBL16606704 0.79 TP53 (0.43) TTLLMNACYP3A4MEN1TP53
Scoparic Acid B SCHEMBL14554122 0.78 MAPT (0.43) TTLLMNACYP3A4MEN1TP53
Scoparic Acid B SCHEMBL30621452 0.78 MAPT (0.43) TTLLMNACYP3A4MEN1TP53
Scoparic Acid C SCHEMBL30621454 0.77 MAPT (0.41) TTLLMNACYP3A4MEN1TP53
Scoparic Acid C SCHEMBL16610413 0.77 MAPT (0.41) TTLLMNACYP3A4MEN1TP53

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-20240299464-A1 BOTANICAL COMPOUNDS, METHODS, AND PROCEDURES FOR MEDICINAL TREATMENT RELATED TO IMMUNOINFLAMMATION, NEUROINFLAMMATION, DEPRESSION, MEMORY, FOCUS, AND NERVE DEGENERATION NGUYEN MINH H (US) 2024-09-12 — — US disclosed
WO-2024173722-A2 BOTANICAL COMPOUNDS, METHODS, AND PROCEDURES FOR MEDICINAL TREATMENT RELATED TO IMMUNOINFLAMMATION, NEUROINFLAMMATION, DEPRESSION, MEMORY, FOCUS, AND NERVE DEGENERATION NGUYEN MINH H (US) 2024-08-22 — — WO disclosed
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