SCHEMBL29080249

SCHEMBL29080249

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.32
SRC P12931 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 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
SCHEMBL26908623 0.94 ALDH1A1 (0.40) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL26908626 0.86 ALDH1A1 (0.46) ERN1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL26908564 0.83 ALDH1A1 (0.35) ERN1ALDH1A1TSHRESR2KDM4E
SCHEMBL26908551 0.82 ALDH1A1 (0.50) ERN1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL26908521 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRSRCKDM4E
SCHEMBL26908541 0.82 ALDH1A1 (0.36) ALDH1A1TSHRKDM4E
SCHEMBL27223012 0.81 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL26908612 0.80 LMNA (0.46) ERN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL26908583 0.80 TDP1 (0.37) ERN1ALDH1A1
SCHEMBL26908577 0.79 KCNJ1 (0.34) ERN1ALDH1A1TSHRSRCMEN1

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