SCHEMBL29091962

SCHEMBL29091962

CC(CO)(CO)CO.COc1cc(C)c(C=O)c(C=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL26908559 0.88 ERN1 (0.44) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30608691 0.85 ERN1 (0.43) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL26908624 0.84 ERN1 (0.40) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29091956 0.80 ERN1 (0.41) ERN1ALDH1A1TDP1TSHRHPGD
SCHEMBL26908518 0.80 AKR1B1 (0.36) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL26908586 0.78 PRKDC (0.42) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29091957 0.77 ERN1 (0.46) ERN1ALDH1A1TDP1LMNATSHR
SCHEMBL26908616 0.77 ALDH1A1 (0.49) ERN1ALDH1A1MAPTTDP1CYP3A4
SCHEMBL26908549 0.77 ERN1 (0.33) ERN1ALDH1A1TDP1CYP3A4KDM4E
SCHEMBL26908605 0.75 ERN1 (0.39) ERN1ALDH1A1MAPTTDP1KDM4E

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-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
Send feedback