SCHEMBL28961192

SCHEMBL28961192

C=C(C)C(=O)Oc1c(C(C)c2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
VCAM1 P19320 4/20 0.33

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
SCHEMBL30050586 0.88 CYP3A4 (0.40) ALDH1A1CYP2C9CYP2C19VCAM1
SCHEMBL499911 0.88 CYP3A4 (0.40) ALDH1A1CYP2C9CYP2C19VCAM1
SCHEMBL10389068 0.86 CA1 (0.46) CA2VCAM1
SCHEMBL7190404 0.85 HSPA5 (0.40) ALDH1A1HSPA5HIF1AVCAM1
SCHEMBL2671849 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29587295 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14904083 0.80 KDM4E (0.30) ALDH1A1
SCHEMBL29463589 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL225440 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10477802 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR

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-114127194-B Silicone rubber composition, crosslinked silicone rubber, and sealing material 住友理工株式会社 2023-02-28 CN disclosed
CN-114127194-A Silicone rubber composition, crosslinked silicone rubber, and sealing material 住友理工株式会社 2022-03-01 CN disclosed