SCHEMBL3283448

SCHEMBL3283448

C=CC(=O)OCCc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 8/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 3/20 0.42
HPGD P15428 2/20 0.39
HCAR2 Q8TDS4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B10 O60218 4/20 0.35
AKR1B1 P15121 4/20 0.35
GAA P10253 1/20 0.33
APP P05067 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX5 P09917 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2320055 0.83 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL5175653 0.82 THRB (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9634091 0.82 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21314238 0.81 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2320779 0.79 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27880069 0.79 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29380620 0.78 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2784396 0.78 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10892651 0.78 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29597270 0.77 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A

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-2531889-B1 USE OF A PHOTOPOLYMER FORMULATION WITH ESTER-BASED WRITING MONOMERS FOR THE FABRICATION OF HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-06-03 EP disclosed
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 EP disclosed