SCHEMBL2320779

SCHEMBL2320779

C=CC(=O)OCCc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
PTPN11 Q06124 1/20 0.36
APEX1 P27695 1/20 0.35
MYC P01106 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GAA P10253 1/20 0.35
ACE2 Q9BYF1 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 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
SCHEMBL10868118 0.93 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2478271 0.87 SRD5A2 (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4578981 0.87 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28626780 0.87 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2784396 0.84 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29380620 0.84 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10892651 0.84 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6283584 0.83 DCLRE1B (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL1263541 0.83 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL5175653 0.83 THRB (0.42) 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 3 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-2531889-A1 PHOTOPOLYMER FORMULATION HAVING ESTER-BASED WRITING MONOMERS Bayer Intellectual Property GmbH (DE) 2012-12-12 EP disclosed
WO-2011095442-A1 PHOTOPOLYMER FORMULATION HAVING ESTER-BASED WRITING MONOMERS BAYER MATERIALSCIENCE AG (DE) 2011-08-11 WO disclosed