SCHEMBL28958204

SCHEMBL28958204

CCCCC(CC)CC(S)C(=O)O.CCCCC(CC)CC(S)C(=O)O.C[Sn]C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RNPEP Q9H4A4 1/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL424113 0.95 CA2 (0.48) CA2MAPK1ALDH1A1RNPEPCYP3A4
Hydrogen Sulfide SCHEMBL8850278 0.93 CA2 (0.47) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL211376 0.91 CA2 (0.46) CA2MAPK1ALDH1A1RNPEPCYP3A4
Phosphoric Acid SCHEMBL4891228 0.88 CA2 (0.43) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL6361967 0.87 CA2 (0.42) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL5324009 0.84 CA2 (0.40) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL8931815 0.84 CA2 (0.40) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL8931819 0.82 GMNN (0.39) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL9242496 0.80 CA2 (0.52) CA2MAPK1ALDH1A1RNPEPCYP3A4
SCHEMBL29133312 0.80 CA2 (0.47) CA2MAPK1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110621737-B Resin composition for molding 积水化学工业株式会社 2023-01-03 CN disclosed