SCHEMBL28484223

SCHEMBL28484223

CC(C)(C)OC(=O)CCCCc1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
PTPN1 P18031 2/20 0.47
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 1/20 0.45
FFAR1 O14842 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PLA2G4B P0C869 1/20 0.42
PLA2G4A P47712 1/20 0.41

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
SCHEMBL12696315 0.89 PLA2G4A (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15504849 0.87 PLA2G4A (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5702452 0.87 PSEN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1586865 0.84 LMNA (0.57) PTPN1FFAR1
SCHEMBL2442541 0.84 PPARA (0.53) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12696322 0.84 PTPN1 (0.50) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1586600 0.83 ADRB2 (0.54) PTPN1FFAR1PSEN1PSEN2APH1B
SCHEMBL1586571 0.83 ADRB2 (0.51) HDAC8PTPN1FFAR1PSEN1PSEN2
SCHEMBL9325892 0.82 PTPN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL198467 0.82 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN

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-105301905-B Chemically amplified positive resist composition and patterning method 信越化学工业株式会社 2020-11-20 CN disclosed