SCHEMBL20458688

SCHEMBL20458688

CCC(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
LMNA P02545 3/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 2/20 0.67
CYP1A2 P05177 2/20 0.67
PGR P06401 2/20 0.67
SLC6A2 P23975 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP2D6 P10635 1/20 0.67
PDE4A P27815 1/20 0.67
HRH1 P35367 1/20 0.67
SLC6A3 Q01959 1/20 0.67
PDE4D Q08499 1/20 0.67
ELANE P08246 3/20 0.66
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 2/20 0.58
USP2 O75604 1/20 0.58
KEAP1 Q14145 1/20 0.58

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
SCHEMBL7174216 0.89 ELANE (0.56) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL11132390 0.87 HPGD (0.64) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL27850240 0.86 HPGD (0.63) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL14593482 0.86 HPGD (0.62) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL14593472 0.86 HPGD (0.62) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL11209852 0.86 HPGD (0.62) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL996990 0.85 HPGD (0.74) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL25124449 0.84 HPGD (0.61) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL6660092 0.84 HPGD (0.58) HPGDLMNAHTTMAPK1CYP1A2
SCHEMBL6544988 0.84 HPGD (0.58) HPGDLMNAHTTMAPK1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357975-A1 NOVEL COMPOUND, COLORING COMPOSITION FOR DYEING OR PRINTING, INK FOR INKJET PRINTING, METHOD OF PRINTING ON CLOTH, AND DYED OR PRINTED CLOTH FUJIFILM Corporation (JP) 2018-08-08 EP disclosed
EP-3357976-A1 NOVEL COMPOUND, COLORING COMPOSITION FOR DYEING OR PRINTING, INK FOR INKJET PRINTING, METHOD OF PRINTING ON CLOTH, AND DYED OR PRINTED CLOTH FUJIFILM Corporation (JP) 2018-08-08 EP disclosed