SCHEMBL30545301

SCHEMBL30545301

COc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(OC)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.88
▸ CYP3A4 P08684 5/20 0.88
▸ CYP2D6 P10635 1/20 0.88
▸ CYP2C9 P11712 1/20 0.88
▸ CYP2C19 P33261 1/20 0.88
▸ ABCG2 Q9UNQ0 7/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ MCL1 Q07820 1/20 0.69
▸ USP2 O75604 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69

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
SCHEMBL2286430 0.93 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25199853 0.93 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2286422 0.93 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383814 0.93 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31233040 0.85 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2279010 0.85 MAPT (0.85) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383606 0.85 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25279735 0.85 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25208509 0.85 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383546 0.85 MAPT (0.85) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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-111269104-B Chalcone analogue and application thereof 温州医科大学 2023-08-04 — — CN disclosed
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