SCHEMBL30600424

SCHEMBL30600424

CCCCOc1cccc(C=O)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ TLR6 Q9Y2C9 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL10351592 0.90 GAA (0.64) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29092743 0.89 GAA (0.48) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29080262 0.88 GAA (0.47) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL195416 0.86 ALDH1A1 (0.74) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14848863 0.84 GAA (0.58) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14792955 0.83 ALDH1A1 (0.55) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14841972 0.83 GAA (0.56) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21625777 0.83 GAA (0.56) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30471152 0.83 GAA (0.56) GAATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15357251 0.82 GAA (0.56) 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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