SCHEMBL31320040

SCHEMBL31320040

CCN(CC(O)CS(=O)(=O)O)c1cc(C)cc(C)c1.[Na]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
TSPO P30536 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 1/20 0.32
HTT P42858 2/20 0.32
CNR2 P34972 3/20 0.31
ATM Q13315 1/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL242608 0.98 MEN1 (0.33) GLATSPOKMT2AMEN1ALDH1A1
SCHEMBL31320043 0.97 TSPO (0.33) GLATSPOKMT2AMEN1ALDH1A1
SCHEMBL2907154 0.97 TSPO (0.33) GLATSPOKMT2AMEN1ALDH1A1
SCHEMBL3255714 0.90 GLA (0.42) GLAKMT2AMEN1ALDH1A1HPGD
SCHEMBL29742941 0.86 GLA (0.46) GLAKMT2AMEN1ALDH1A1HPGD
Water SCHEMBL29402591 0.85 GLA (0.46) GLAKMT2AMEN1ALDH1A1HPGD
SCHEMBL127387 0.85 GLA (0.44) GLAKMT2AMEN1ALDH1A1HPGD
SCHEMBL30114899 0.84 KMT2A (0.35) GLATSPOKMT2AMEN1ALDH1A1
SCHEMBL2907159 0.84 KMT2A (0.35) GLATSPOKMT2AMEN1ALDH1A1
SCHEMBL6253130 0.84 CNR2 (0.43) KMT2AMEN1ALDH1A1HSP90AA1CYP2C9

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-119220635-A Reagent for measuring ionic calcium in blood sample, biochemical analysis chip and measuring method 北京中生金域诊断技术股份有限公司 2024-12-31 CN claimed