SCHEMBL30003394

SCHEMBL30003394

CCCCc1cc2c(cc1CCCC)C(=O)C(CC)=CC2=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
ALOX5 P09917 2/20 0.33
PPARG P37231 1/20 0.33
SOAT1 P35610 10/20 0.33
S100A4 P26447 1/20 0.33
CTRC Q99895 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TYR P14679 1/20 0.32
XIAP P98170 1/20 0.31

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
SCHEMBL23271932 1.00 PTPN1 (0.40) PTPN1ACHEBACE1ALOX5PPARG
SCHEMBL23271941 0.83 PTPN1 (0.36) PTPN1ACHEBACE1ALOX5SOAT1
SCHEMBL30003420 0.83 PTPN1 (0.36) PTPN1ACHEBACE1ALOX5SOAT1
SCHEMBL30003718 0.81 ALDH1A1 (0.43) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271936 0.81 ALDH1A1 (0.43) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271779 0.80 ALOX5 (0.47) ALOX5ELANECTSGKDM4EPKM
SCHEMBL30003983 0.80 CTRC (0.39) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271774 0.80 CTRC (0.39) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL30003715 0.80 ALOX5 (0.47) ALOX5ELANECTSGKDM4EPKM
SCHEMBL23271640 0.80 PTPN1 (0.43) PTPN1SOAT1S100A4XIAP

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed