SCHEMBL31233236

SCHEMBL31233236

COc1cc(O)c(C(=O)C=Cc2ccccc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
MAPT P10636 4/20 0.68
ABCG2 Q9UNQ0 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
ATM Q13315 2/20 0.68
LMNA P02545 1/20 0.68
RECQL P46063 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP1A1 P04798 1/20 0.67
CYP1B1 Q16678 1/20 0.67
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
TNFRSF1A P19438 1/20 0.63
ACHE P22303 2/20 0.63
MAOB P27338 1/20 0.63

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
SCHEMBL30000665 1.00 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25208067 0.92 CYP3A4 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29011897 0.90 MAPT (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25202496 0.90 CYP2C19 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5088653 0.89 MAPT (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5088647 0.89 MAPT (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25205493 0.87 CYP3A4 (0.82) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25223485 0.87 CYP3A4 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25238512 0.87 ACHE (0.81) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25211044 0.86 CYP3A4 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed