SCHEMBL31296499

SCHEMBL31296499

COC(=O)C1(C(=O)OC)Cc2c(C)cc(C3CC3)c(C)c2C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
GPR35 Q9HC97 2/20 0.32

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
SCHEMBL31296496 0.93 PTGDR2 (0.35) SLC6A3PDK2PDK4
SCHEMBL31296464 0.82 CA12 (0.32) SLC6A3
SCHEMBL23857599 0.79 MT-CO2 (0.35) PDK2PDK4
SCHEMBL30253323 0.78 MT-CO2 (0.34) PDK2PDK4
SCHEMBL31296432 0.75 LMNA (0.33)
SCHEMBL31296468 0.74 MEN1 (0.36)
SCHEMBL31296467 0.74 KDM4E (0.38)
SCHEMBL31296486 0.73
SCHEMBL23857275 0.73 UCHL1 (0.30)
SCHEMBL30253200 0.73 UCHL1 (0.30)

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