SCHEMBL28279461

SCHEMBL28279461

CCCCOc1ccc(C(=O)O)c(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.56
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PLA2G2A P14555 2/20 0.51
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLK1 P53350 1/20 0.48
MCL1 Q07820 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL28870271 0.96 PTPN11 (0.62) PTPN11MAOAMAOBPLA2G2ARARB
SCHEMBL28280526 0.96 PTPN11 (0.62) PTPN11MAOAMAOBPLA2G2ARARB
SCHEMBL21543811 0.92 MAOA (0.55) PTPN11MAOAMAOBPLA2G2ATSHR
SCHEMBL8085882 0.89 MAOA (0.60) PTPN11MAOAMAOBPLA2G2ATP53
SCHEMBL21543820 0.89 PTPN11 (0.62) PTPN11PLA2G2ARARARARBTP53
SCHEMBL16836640 0.88 MAOA (0.62) PTPN11MAOAMAOBTP53TSHR
SCHEMBL8085899 0.86 PTPN11 (0.68) PTPN11PLA2G2ARARBTP53TSHR
SCHEMBL18199320 0.86 PLA2G2A (0.50) MAOAMAOBPLA2G2ATSHRPLK1
SCHEMBL20129246 0.85 RARB (0.54) PTPN11MAOAMAOBPLA2G2ARARA
SCHEMBL16482859 0.84 MAOA (0.54) PTPN11MAOAMAOBPLA2G2AKDM4E

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-109485573-A A kind of aromatic dicarboxylic acid ionic liquid and its preparation method and application 宝鸡文理学院 2019-03-19 CN disclosed