SCHEMBL31296427

SCHEMBL31296427

COC(=O)C1(C(=O)OC)Cc2c(C)cc(C3=CCCCC3)c(C)c2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.36
PSMB1 P20618 1/20 0.36
CXCR5 P32302 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL31296464 0.75 CA12 (0.32) MAPTSMN1; SMN2
SCHEMBL31296498 0.74 MAOA (0.39) MAPT
SCHEMBL23857599 0.73 MT-CO2 (0.35) MAPTACHE
SCHEMBL30253323 0.72 MT-CO2 (0.34) MAPTACHE
SCHEMBL31296432 0.70 LMNA (0.33) MAPTACHE
SCHEMBL31296468 0.69 MEN1 (0.36) MAPT
SCHEMBL31296467 0.69 KDM4E (0.38) MAPT
SCHEMBL31296499 0.69 SLC6A3 (0.36)
SCHEMBL31296496 0.68 PTGDR2 (0.35) PSMB5
SCHEMBL6068829 0.68 CA12 (0.41) MAPTSMN1; SMN2

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-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed