SCHEMBL13670862

SCHEMBL13670862

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CC)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
HIF1A Q16665 1/20 0.49
AR P10275 2/20 0.48
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL22020008 0.95 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL20610370 0.95 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL14173202 0.95 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL11967041 0.95 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL15349 0.95 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL12265865 0.93 HTT (0.49) HTTHIF1AARPOLBLMNA
Bicarbonate SCHEMBL7732697 0.93 HTT (0.51) HTTHIF1AARPOLBLMNA
SCHEMBL15803522 0.91 HTT (0.50) HTTHIF1AARPOLBLMNA
SCHEMBL19479960 0.91 AR (0.54) HTTHIF1AARPOLBLMNA
Methacrylic Acid SCHEMBL14881206 0.91 HTT (0.50) HTTHIF1AARPOLBLMNA

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-7604755-B2 Electroconductive resin composition and separator for fuel cell JAPAN COMPOSITE CO., LTD. (JP) 2009-10-20 US disclosed