SCHEMBL30104451

SCHEMBL30104451

Cc1cc(O)c(C2CCCCC2)cc1C(C)(C)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PSMB5 P28074 1/20 0.35
CNR1 P21554 4/20 0.35
ACMSD Q8TDX5 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL278477 0.91 ESR1 (0.39) NUDT1BACE1HSP90AA1PSMB5CNR1
SCHEMBL29623065 0.91 ESR1 (0.39) NUDT1BACE1HSP90AA1PSMB5CNR1
SCHEMBL30320264 0.91 ESR1 (0.39) NUDT1BACE1HSP90AA1PSMB5CNR1
SCHEMBL27411644 0.90 NUDT1 (0.39) NUDT1BACE1HSP90AA1PSMB5CNR1
Methacrylic Acid SCHEMBL31062648 0.88 ACMSD (0.36) NUDT1BACE1HSP90AA1ACMSDKDM4E
SCHEMBL278354 0.87 ESR1 (0.40) NUDT1BACE1HSP90AA1CNR1ACMSD
SCHEMBL278349 0.87 ESR1 (0.37) NUDT1BACE1HSP90AA1CNR1ACMSD
SCHEMBL8656679 0.87 ESR1 (0.38) NUDT1BACE1HSP90AA1CNR1ACMSD
SCHEMBL30320299 0.87 ESR1 (0.37) NUDT1BACE1HSP90AA1CNR1ACMSD
SCHEMBL29623208 0.87 ESR1 (0.37) NUDT1BACE1HSP90AA1CNR1ACMSD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541405-A Curable resin, curable resin composition, and cured product DIC株式会社 2024-08-23 CN disclosed
WO-2023145108-A1 CURABLE RESIN, CURABLE RESIN COMPOSITION, AND CURED ARTICLE DIC株式会社 2023-08-03 WO disclosed
WO-2023089976-A1 CURABLE RESIN, CURABLE RESIN COMPOSITION, AND CURED OBJECT DIC株式会社 2023-05-25 WO disclosed
CN-116157270-A Curable resin, curable resin composition, and cured product DIC株式会社 2023-05-23 CN disclosed
WO-2023008079-A1 CURABLE RESIN COMPOSITION AND CURED PRODUCT DIC株式会社 2023-02-02 WO disclosed