SCHEMBL29080259

SCHEMBL29080259

CC(CO)(CO)CO.Cc1cc(C=O)c(C=O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SRC P12931 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
PTPN1 P18031 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
SCHEMBL26908608 0.92 ALDH1A1 (0.42) ERN1ALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL27223012 0.86 GRIA1 (0.40) ERN1ALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL29080238 0.81 SRC (0.47) ERN1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL26908543 0.79 ALDH1A1 (0.53) ERN1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL26908554 0.79 KCNJ1 (0.36) ERN1ALDH1A1TSHRSRC
SCHEMBL446933 0.79 ALDH1A1 (0.50) ERN1ALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL30600409 0.79 ALDH1A1 (0.50) ERN1ALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL29080243 0.78 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2SRC
SCHEMBL26908556 0.78 ALDH1A1 (0.37) ERN1ALDH1A1TSHRSRC
SCHEMBL26908572 0.78 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2SRC

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