SCHEMBL3197451

SCHEMBL3197451

O=C(c1ccccc1O)c1cc(N=Nc2ccc(CCO)cc2)c(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 2/20 0.40
CYP19A1 P11511 1/20 0.38
IDE P14735 1/20 0.38
ALOX15 P16050 4/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
HIF1A Q16665 1/20 0.37
EGFR P00533 1/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL3197447 1.00 GSTA1 (0.40) GSTA1CYP19A1IDEALOX15HPGD
SCHEMBL3194469 0.90 ALDH1A1 (0.39) IDEHPGDCYP3A4EGFRMAPT
SCHEMBL3194460 0.90 ALDH1A1 (0.39) IDEHPGDCYP3A4EGFRMAPT
SCHEMBL3192196 0.88 PPARG (0.41) IDEHPGDLMNACYP1A2PGR
SCHEMBL3192190 0.88 PPARG (0.41) IDEHPGDLMNACYP1A2PGR
SCHEMBL3188158 0.80 PPARG (0.39) IDEALOX15HPGDLMNACYP3A4
SCHEMBL3188163 0.80 PPARG (0.39) IDEALOX15HPGDLMNACYP3A4
SCHEMBL3185002 0.78 NPC1 (0.45) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL3185014 0.78 NPC1 (0.45) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL16693333 0.75 MAPT (0.54) ALOX15HPGDLMNACYP1A2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867683-B1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO LTD (JP) 2012-10-17 EP disclosed
US-7662937-B2 Polymerizable dye and ophthalmic lens containing the same MENICON CO., LTD. (JP) 2010-02-16 US disclosed
US-20090082553-A1 Novel Polymerizable Dye and Ophthalmic Lens Containing the Same MENICON CO., LTD. (JP) 2009-03-26 US disclosed
EP-1867683-A1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO., LTD. (JP) 2007-12-19 EP disclosed