SCHEMBL30003420

SCHEMBL30003420

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
ALOX5 P09917 2/20 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
SCHEMBL23271941 1.00 PTPN1 (0.36) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL23271932 0.83 PTPN1 (0.40) PTPN1ACHEBACE1ALOX5SOAT1
SCHEMBL30003394 0.83 PTPN1 (0.40) PTPN1ACHEBACE1ALOX5SOAT1
SCHEMBL30003718 0.81 ALDH1A1 (0.43) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271936 0.81 ALDH1A1 (0.43) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271779 0.80 ALOX5 (0.47) ALOX5ELANECTSGTYRXIAP
SCHEMBL30003715 0.80 ALOX5 (0.47) ALOX5ELANECTSGTYRXIAP
SCHEMBL23271774 0.80 CTRC (0.39) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL30003983 0.80 CTRC (0.39) PTPN1ALOX5SOAT1S100A4CTRC
SCHEMBL23271834 0.80 SKP2 (0.45) 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