SCHEMBL25307194

SCHEMBL25307194

CC1CCCCC1COC(=O)C1CCCCC1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
EPHX1 P07099 1/20 0.46
OPRM1 P35372 1/20 0.32
POLB P06746 1/20 0.31
SCN9A Q15858 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14980686 0.84 TP53 (0.49) TP53CYP3A4EPHX1POLBCA1
SCHEMBL11289122 0.84 ALDH1A1 (0.38) TP53CYP3A4EPHX1SMN1; SMN2ALDH1A1
SCHEMBL29625800 0.82 TP53 (0.47) TP53CYP3A4EPHX1CHRM2CHRM4
SCHEMBL6409819 0.81 EPHX1 (0.52) TP53CYP3A4EPHX1OPRM1POLB
SCHEMBL11714705 0.80 TP53 (0.40) TP53CYP3A4EPHX1SCN9AALDH1A1
SCHEMBL844685 0.80 TP53 (0.43) TP53CYP3A4EPHX1
SCHEMBL13869054 0.79 EPHX1 (0.50) TP53CYP3A4EPHX1ALDH1A1L3MBTL1
SCHEMBL16470991 0.79 EPHX1 (0.36) CYP3A4EPHX1SCN9ACA1CA2
SCHEMBL14981008 0.79 EPHX1 (0.50) TP53CYP3A4EPHX1OPRM1POLB
SCHEMBL13007344 0.79 EPHX1 (0.50) TP53CYP3A4EPHX1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136299-A1 METHOD FOR LOWERING BONDING STRENGTH OF ADHESIVE LAYER 学校法人早稲田大学 2023-07-20 WO disclosed
WO-2023068109-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT, AND ADHESIVE 株式会社ADEKA 2023-04-27 WO disclosed
CN-104262926-B Polycarbonate resin composition, and molded article, film, plate, and injection molded article obtained using same 三菱化学株式会社 2017-04-12 CN disclosed