SCHEMBL31233074

SCHEMBL31233074

COc1cccc(O)c1C(=O)C=Cc1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.74
▸ CYP3A4 P08684 5/20 0.74
▸ CYP2D6 P10635 4/20 0.74
▸ CYP2C9 P11712 4/20 0.74
▸ CYP2C19 P33261 4/20 0.74
▸ ABCG2 Q9UNQ0 1/20 0.65
▸ APP P05067 1/20 0.62
▸ RAB9A P51151 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ POLB P06746 1/20 0.53

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
SCHEMBL7656609 1.00 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7656614 1.00 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383986 1.00 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25279735 0.93 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383606 0.93 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25208509 0.93 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31233040 0.93 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383506 0.87 MEN1 (0.64) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19183460 0.87 MEN1 (0.64) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19183459 0.87 MEN1 (0.64) 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
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
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