SCHEMBL31296464

SCHEMBL31296464

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL23857599 0.87 MT-CO2 (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL31296432 0.86 LMNA (0.33) CA12CA1CA2CA9POLB
SCHEMBL30253323 0.85 MT-CO2 (0.34) CA12CA1CA2CA9KDM4E
SCHEMBL31296484 0.82 GAA (0.34)
SCHEMBL31296468 0.82 MEN1 (0.36) CA1CA2CA9KDM4EPOLB
SCHEMBL31296499 0.82 SLC6A3 (0.36) SLC6A3
SCHEMBL31296467 0.82 KDM4E (0.38) KDM4EPOLBMAPT
SCHEMBL31296498 0.79 MAOA (0.39) MAPT
SCHEMBL31296478 0.79 IDO1 (0.30)
SCHEMBL31296496 0.78 PTGDR2 (0.35) SLC6A3POLB

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