Sugi Predict

Sugi Predict / Compounds / SCHEMBL28683054

SCHEMBL28683054

SCHEMBL28683054

CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1cc(C(C)(C)C)c(OC(=O)Oc2c(C(C)(C)C)cc(C=CC(=O)OCCCCCCCCCCCCCCCCCC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.55
▸ HCAR2 Q8TDS4 2/20 0.45
▸ ALOX5 P09917 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL29192602 0.89 APP (0.56) APPHCAR2ALOX5
SCHEMBL28983660 0.86 APP (0.62) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL180576 0.86 APP (0.62) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL28983662 0.86 APP (0.62) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL2043021 0.86 APP (0.62) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL14482404 0.81 GABBR2 (0.56) APPALOX5
SCHEMBL7754711 0.81 GABBR2 (0.56) APPALOX5
Phenol SCHEMBL28112661 0.80 APP (0.57) APPHCAR2ALOX5
SCHEMBL6734358 0.79 GABBR2 (0.57) APPALOX5
SCHEMBL27640006 0.78 ESR1 (0.43) APP

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-114031889-B High-temperature-resistant ABS composite material and preparation method thereof 湖州伟悦高分子材料有限公司 2022-06-07 — — CN disclosed
CN-114031889-A High-temperature-resistant ABS composite material and preparation method thereof 湖州伟悦高分子材料有限公司 2022-02-11 — — CN disclosed