SCHEMBL4254887

SCHEMBL4254887

COC(=O)c1cc(Nc2ccc(C)cc2)c(C(=O)O)cc1Nc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.65
AKR1C2 P52895 14/20 0.65
MAPT P10636 5/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.49
GFER P55789 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NGLY1 Q96IV0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MITF O75030 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4091568 0.94 AKR1C3 (0.59) AKR1C3AKR1C2MAPTALOX15LMNA
SCHEMBL9409087 0.91 AKR1C3 (0.61) AKR1C3AKR1C2MAPTALOX15LMNA
SCHEMBL936023 0.90 AKR1C3 (0.69) AKR1C3AKR1C2MAPTLMNAKMT2A
SCHEMBL4257100 0.87 MAPT (0.68) AKR1C3AKR1C2MAPTALOX15LMNA
SCHEMBL8834176 0.87 AKR1C3 (0.55) AKR1C3AKR1C2MAPTALOX15LMNA
SCHEMBL4091574 0.87 AKR1C3 (0.57) AKR1C3AKR1C2MAPTLMNAKMT2A
SCHEMBL8773601 0.86 AKR1C3 (0.81) AKR1C3AKR1C2MAPTLMNAKMT2A
SCHEMBL14598926 0.86 AKR1C3 (0.81) AKR1C3AKR1C2MAPTLMNAKMT2A
SCHEMBL8773607 0.86 AKR1C3 (0.71) AKR1C3AKR1C2MAPTLMNAKMT2A
SCHEMBL11647944 0.85 MAPT (0.65) AKR1C3AKR1C2MAPTKMT2AMEN1

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
US-8263771-B2 Method for manufacturing dispersion of quinoline derivative CANON KABUSHIKI KAISHA (JP) 2012-09-11 US disclosed
US-20090020043-A1 METHOD FOR MANUFACTURING DISPERSION OF QUINOLINE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2009-01-22 US disclosed