SCHEMBL30892467

SCHEMBL30892467

COC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
LMNA P02545 1/20 0.64
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GLRA1 P23415 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL24984300 1.00 HPGD (0.64) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL2338199 0.91 HPGD (0.76) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL1458188 0.89 LMNA (0.60) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30141029 0.89 HPGD (0.62) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL24983415 0.89 HPGD (0.62) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30892454 0.87 HPGD (0.70) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL16382497 0.84 LMNA (0.60) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL24983425 0.84 HPGD (0.84) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30892445 0.84 HPGD (0.84) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL5240840 0.84 HPGD (0.74) HPGDLMNASMPD1HDAC1HDAC8

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-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed