SCHEMBL30931535

SCHEMBL30931535

COc1cc(O)c2c(=O)cc(C3(O)C=CC(O)C=C3)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ GSTO1 P78417 1/20 0.54
▸ MAOB P27338 3/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ IP6K2 Q9UHH9 2/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL30931536 1.00 PTGS1 (0.55) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL15395253 0.86 KMT2A (0.71) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL2874820 0.85 MAPT (0.74) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL2424752 0.75 PTGS1 (0.56) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL13066079 0.74 MAPT (0.67) PTGS1PTGS2MAPTNPC1KMT2A
Eugenin SCHEMBL29373728 0.72 PTGS1 (1.00) PTGS1PTGS2MAPTNPC1KMT2A
Eugenin SCHEMBL1860860 0.72 PTGS1 (1.00) PTGS1PTGS2MAPTNPC1KMT2A
Protoapigenone SCHEMBL13066080 0.70 KMT2A (1.00) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL14252989 0.69 PTGS1 (0.67) PTGS1PTGS2MAPTNPC1KMT2A
SCHEMBL7221147 0.69 PTGS1 (0.67) PTGS1PTGS2MAPTNPC1KMT2A

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
US-12005095-B2 Eutectic extraction solvents, extraction methods by eutectigenesis using said solvents, and extracts derived from said extraction methods GIVAUDAN FRANCE NATURALS SAS (FR) 2024-06-11 — — US disclosed
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