SCHEMBL29080262

SCHEMBL29080262

CCC(CO)(CO)CO.CCCCOc1cccc(C=O)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTPN1 P18031 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ TLR6 Q9Y2C9 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL29092743 0.88 GAA (0.48) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30600424 0.88 GAA (0.57) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10351592 0.79 GAA (0.64) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL27223839 0.77 FDPS (0.43) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29080263 0.77 LIPG (0.42) ALOX5MAPTKDM4E
SCHEMBL29080246 0.76 ALDH1A1 (0.43) TDP1ALDH1A1KMT2AMEN1TLR2
SCHEMBL195416 0.75 ALDH1A1 (0.74) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29080258 0.75 LMNA (0.34) TDP1ALDH1A1KMT2AMEN1TLR2
SCHEMBL15357251 0.75 GAA (0.56) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11503686 0.75 ERN1 (0.60) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2

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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