SCHEMBL29192602

SCHEMBL29192602

CCCCCCCCOC(=O)C=Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.56
ALOX5 P09917 1/20 0.50
ABCB1 P08183 5/20 0.49
ABCC1 P33527 5/20 0.49
ABCG2 Q9UNQ0 5/20 0.49
HCAR2 Q8TDS4 2/20 0.46
HTR1A P08908 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
TNFRSF1A P19438 2/20 0.45

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
SCHEMBL28683054 0.89 APP (0.55) APPALOX5HCAR2
SCHEMBL28983660 0.88 APP (0.62) APPALOX5HCAR2
SCHEMBL180576 0.88 APP (0.62) APPALOX5HCAR2
SCHEMBL2043021 0.88 APP (0.62) APPALOX5HCAR2
SCHEMBL28983662 0.88 APP (0.62) APPALOX5HCAR2
SCHEMBL10606238 0.84 ABCB1 (0.67) APPALOX5ABCB1ABCC1ABCG2
SCHEMBL10610360 0.84 ABCB1 (0.67) APPALOX5ABCB1ABCC1ABCG2
SCHEMBL14482404 0.82 GABBR2 (0.56) APPALOX5TNFRSF1A
SCHEMBL7754711 0.82 GABBR2 (0.56) APPALOX5TNFRSF1A
Phenol SCHEMBL28112661 0.81 APP (0.57) APPALOX5HCAR2TNFRSF1A

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-117561319-A O-alkylated sterically hindered antioxidants 松原实业有限公司 2024-02-13 CN disclosed