SCHEMBL31296432

SCHEMBL31296432

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GGPS1 O95749 3/20 0.31
FDPS P14324 3/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
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 0.86 CA12 (0.32) CA12CA1CA2CA9POLB
SCHEMBL23857599 0.80 MT-CO2 (0.35) LMNACA12CA1CA2CA9
SCHEMBL31296484 0.79 GAA (0.34) LMNAGAATSHR
SCHEMBL30253323 0.79 MT-CO2 (0.34) LMNACA12CA1CA2CA9
SCHEMBL31296468 0.76 MEN1 (0.36) LMNACA1CA2CA9GAA
SCHEMBL31296467 0.75 KDM4E (0.38) GAAPOLBMAPTHPGD
SCHEMBL31296499 0.75 SLC6A3 (0.36)
SCHEMBL31296478 0.73 IDO1 (0.30)
SCHEMBL31296498 0.73 MAOA (0.39) LMNAMAPT
SCHEMBL31296496 0.72 PTGDR2 (0.35) LMNAPOLBTSHR

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