SCHEMBL31296468

SCHEMBL31296468

COC(=O)C1(C(=O)OC)Cc2c(C)ccc(C)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.32
EED O75530 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 0.82 CA12 (0.32) KDM4EPOLBMAPTCA1CA2
SCHEMBL23857599 0.79 MT-CO2 (0.35) CYP3A4TDP1LMNAKDM4EPOLB
SCHEMBL30047578 0.79 GAA (0.33) KMT2ALMNAKDM4EALDH1A1GAA
SCHEMBL30323264 0.78 MEN1 (0.35) MEN1KMT2ACYP2C9CYP2C19HTT
SCHEMBL30253323 0.78 MT-CO2 (0.34) CYP3A4LMNAKDM4EPOLBGAA
SCHEMBL12391667 0.76 MEN1 (0.37) MEN1KMT2APKMCYP3A4CYP2C9
SCHEMBL31296498 0.76 MAOA (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL31296432 0.76 LMNA (0.33) LMNAPOLBGAAHPGDHSD17B10
SCHEMBL31296499 0.74 SLC6A3 (0.36)
SCHEMBL31296467 0.74 KDM4E (0.38) CYP2C9TDP1KDM4EALDH1A1POLB

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