SCHEMBL29080246

SCHEMBL29080246

CCC(CO)(CO)CO.Cc1cccc(C=O)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TRIM24 O15164 2/20 0.34
▸ TRIM33 Q9UPN9 2/20 0.34
▸ ERN1 O75460 3/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ TLR6 Q9Y2C9 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL29080267 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL29080258 0.83 LMNA (0.34) ALDH1A1TSHRTRIM24TRIM33ERN1
Ortho-Phthalaldehyde SCHEMBL29080278 0.81 LMNA (0.52) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL26908536 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL29956925 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL548632 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL26908601 0.79 ERN1 (0.36) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL26908498 0.77 CA1 (0.39) ALDH1A1TRIM24TRIM33ERN1CA1
SCHEMBL29080262 0.76 GAA (0.47) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL29080263 0.76 LIPG (0.42) THRB

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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