SCHEMBL7171972

SCHEMBL7171972

C=CC(=O)OCc1ccc(/N=N/c2c(O)ccc(C(=O)c3ccccc3)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP2C19 P33261 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
PPARG P37231 2/20 0.40
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HTT P42858 4/20 0.37

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
SCHEMBL7171975 1.00 ALDH1A1 (0.42) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL28564892 0.88 ALDH1A1 (0.41) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL16693277 0.87 PTGES (0.42) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL373839 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL7174763 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL8855913 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL7174796 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1CYP2C19L3MBTL1CYP2C9
SCHEMBL6545886 0.80 HCAR2 (0.49) ALDH1A1L3MBTL1PPARGMAPTKMT2A
SCHEMBL6545884 0.80 HCAR2 (0.49) ALDH1A1L3MBTL1PPARGMAPTKMT2A
SCHEMBL28553086 0.79 MEN1 (0.41) ALDH1A1NPSR1L3MBTL1PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722110-B1 Water absorptive soft contact lens MENICON CO LTD (JP) 2003-09-17 EP disclosed
US-5661194-A POLYMER FROM MONOMERS OF (METH)ACRYLAMIDE TYPE MONOMER, FLUOROALKYL (SILICON-CONTAINING ALKYL) FUMARATE MONOMER, AND CROSSLINKING MONOMER MENICON CO., LTD. (JP) 1997-08-26 US disclosed
EP-0722110-A2 Water absorptive soft contact lens Menicon Co., Ltd. (JP) 1996-07-17 EP disclosed