SCHEMBL29067229

SCHEMBL29067229

O=COC(Br)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EDNRA P25101 1/20 0.44
MAPK1 P28482 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK9 P45984 1/20 0.40
ACHE P22303 2/20 0.39
SMAD3 P84022 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9117914 0.81 CYP1A2 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27444135 0.78 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL636949 0.76 RAB9A (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11217449 0.75 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27567430 0.74 ALDH1A1 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27642561 0.73 EDNRA (0.49) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29208434 0.72 CYP1A2 (0.49) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7471799 0.72 CYP1A2 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1681872 0.72 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28062224 0.72 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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
CN-116655582-B Synthesis method and application of sanguinarine intermediate compound bromo-compound 宁波九胜创新医药科技有限公司 2026-05-12 CN disclosed
CN-116655582-A Synthesis method and application of sanguinarine intermediate compound bromo-compound 宁波九胜创新医药科技有限公司 2023-08-29 CN disclosed