SCHEMBL14889264

SCHEMBL14889264

C=C(C)C(=O)OCCC(O)Cc1cccc(C(=O)OCC(O)CO)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 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
SCHEMBL472203 0.87 POLB (0.38) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL8155162 0.85 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL15901933 0.83 POLB (0.33) POLBAPEX1HTTTDP1
SCHEMBL815211 0.80 TDP1 (0.38) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL647274 0.78 ALDH1A1 (0.46) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL647275 0.78 TSHR (0.50) ALDH1A1TSHRTDP1CYP3A4MAPK1
SCHEMBL3861878 0.76 TDP1 (0.40) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL28203417 0.74 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL17868786 0.74 TSHR (0.38) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL29859865 0.73 POLB (0.36) ALDH1A1TSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9753188-B2 Inorganic-organic hybrid material, optical material using the same, and inorganic-organic composite composition NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
EP-2586826-B1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEM (JP) 2015-11-25 EP disclosed
US-20140316033-A1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING THE SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-10-23 US disclosed
US-8815388-B2 Inorganic-organic hybrid material, optical material using the same, and inorganic-organic composite composition NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-08-26 US disclosed
US-20130116362-A1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING THE SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-09 US disclosed
EP-2586826-A1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION Nippon Kasei Chemical Company Limited (JP) 2013-05-01 EP disclosed