SCHEMBL29080243

SCHEMBL29080243

CC(CO)(CO)CO.Cc1cc(C)c(C=O)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
SRC P12931 2/20 0.37
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL686293 0.84 ERN1 (0.54) ERN1SRCKDM4EMEN1ALDH1A1
SCHEMBL26908608 0.78 ALDH1A1 (0.42) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL29080259 0.78 ERN1 (0.39) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL27223012 0.77 GRIA1 (0.40) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL29080267 0.77 ALDH1A1 (0.46) ERN1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL26908594 0.77 ERN1 (0.47) ERN1SRCKDM4EMEN1ALDH1A1
SCHEMBL29080238 0.76 SRC (0.47) ERN1SRCKDM4EMEN1ALDH1A1
SCHEMBL26908584 0.75 AKR1B1 (0.36) ERN1SRCKDM4EMEN1ALDH1A1
SCHEMBL29080241 0.74 ALDH1A1 (0.33) ERN1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL29080245 0.73 ALDH1A1 (0.33) ALDH1A1

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 2 patents. 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
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed