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
SCHEMBL29080259 0.78 ERN1 (0.39) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL26908608 0.78 ALDH1A1 (0.42) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL27223012 0.77 GRIA1 (0.40) ERN1SRCALDH1A1SMN1; SMN2
SCHEMBL26908594 0.77 ERN1 (0.47) ERN1SRCKDM4EMEN1ALDH1A1
SCHEMBL29080267 0.77 ALDH1A1 (0.46) ERN1MEN1ALDH1A1KMT2ASMN1; SMN2
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
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