SCHEMBL25052017

SCHEMBL25052017

CCCCCC(CCCC)COc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
PLA2G4B P0C869 2/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
MAPK1 P28482 3/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ELANE P08246 1/20 0.48
SRD5A2 P31213 1/20 0.47

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
SCHEMBL25052150 0.97 ABCB1 (0.56) ABCB1HTTSMN1; SMN2ALDH1A1GAA
SCHEMBL11203428 0.86 ABCB1 (0.64) ABCB1HTTSMN1; SMN2ALDH1A1GAA
SCHEMBL10785284 0.86 PLA2G4B (0.67) HTTPLA2G4BMAPK1TP53TSHR
SCHEMBL588614 0.85 ABCB1 (0.63) ABCB1HTTSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL27870163 0.85 ABCB1 (0.63) ABCB1HTTSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL258672 0.85 ABCB1 (0.63) ABCB1HTTSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL588999 0.85 ABCB1 (0.63) ABCB1HTTSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL6836270 0.85 ABCB1 (0.63) ABCB1HTTSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL10784668 0.85 PLA2G4B (0.68) HTTPLA2G4BMAPK1TP53TSHR
SCHEMBL7611796 0.83 ABCB1 (0.51) ABCB1HTTSMN1; SMN2ALDH1A1GAA

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
WO-2023018765-A1 CYCLOOCTENE-BENZOPHENONE MONOMER, AS WELL AS CATIONIC POLYMER, CROSS-LINKED POLYELECTROLYTE, COMPOSITE MATERIAL, MEMBRANE, ELECTRODE AND ELECTROCHEMICAL DEVICE, E.G. ELECTROLYZER, PREPARED THEREFROM ECOLECTOR, INC. (US) 2023-02-16 WO disclosed