SCHEMBL17110992

SCHEMBL17110992

C=C(C)C(=O)OCC(C)Oc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 4/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL30537232 0.90 AR (0.50) ARHTTHIF1ATDP1POLB
SCHEMBL4198618 0.90 AR (0.50) ARHTTHIF1ATDP1POLB
SCHEMBL17111010 0.87 TSHR (0.43) TSHRHTTTDP1POLBAPEX1
SCHEMBL27841783 0.85 AR (0.46) ARHTTHIF1ATDP1POLB
SCHEMBL2836254 0.84 AR (0.43) ARTSHRHTTHIF1ATDP1
SCHEMBL12055942 0.84 HTT (0.47) ARTSHRHTTHIF1ATDP1
SCHEMBL15500146 0.83 AR (0.48) ARTSHRHTTHIF1ATDP1
SCHEMBL1791934 0.82 AR (0.62) ARTSHRHTTHIF1ATDP1
SCHEMBL27820401 0.81 AR (0.38) ARTSHRHTTHIF1ATDP1
SCHEMBL11967041 0.80 HTT (0.53) ARTSHRHTTHIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150268382-A1 COMPOSITE OPTICAL DEVICE AND OPTICAL MATERIAL FOR COMPOSITE OPTICAL DEVICE PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2015-09-24 US disclosed