SCHEMBL1101533

SCHEMBL1101533

COc1ccc(C(C)(C)c2ccc(OCC(O)CN)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HIF1A Q16665 1/20 0.58
AR P10275 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CASR P41180 2/20 0.46
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL18744493 0.94 HTT (0.65) HTTHIF1AARMAPTGAA
SCHEMBL1708894 0.91 HTT (0.65) HTTHIF1AARMAPTGAA
SCHEMBL4944200 0.89 KMT2A (0.57) HTTMAPTGAAKMT2AMEN1
SCHEMBL4944194 0.89 KMT2A (0.57) HTTMAPTGAAKMT2AMEN1
SCHEMBL10077718 0.88 HTT (0.58) HTTHIF1AARMAPTGAA
SCHEMBL18744492 0.88 HTT (0.58) HTTHIF1AARMAPTGAA
SCHEMBL801366 0.86 HTT (0.60) HTTHIF1AARMAPTGAA
SCHEMBL15501759 0.85 HTT (0.58) HTTHIF1AARMAPTGAA
SCHEMBL24094007 0.84 HTT (0.55) HTTHIF1AARMAPTGAA
SCHEMBL773407 0.84 KMT2A (0.53) HTTMAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120160685-A1 COATING LINE AND PROCESS FOR FORMING A MULTILAYER COMPONENT COATING ON A SUBSTRATE PPG INDUSTRIES OHIO, INC. (US) 2012-06-28 US disclosed
US-8152982-B2 Coating line and process for forming a multilayer component coating on a substrate PURDY SEAN (US) 2012-04-10 US disclosed
US-20090173633-A1 COATING LINE AND PROCESS FOR FORMING A MULTILAYER COMPONENT COATING ON A SUBSTRATE PPG INDUSTRIES OHIO, INC. (US) 2009-07-09 US disclosed
US-7531074-B2 Curing electrodeposition coating layer; dehydrating aqueous curable base coating layer; pigment-free; automobile clear coats; wear and corrosion resistance PPG INDUSTRIES OHIO, INC. (US) 2009-05-12 US disclosed
US-20070278104-A9 Coating line and process for forming a multilayer composite coating on a substrate PURDY SEAN 2007-12-06 US disclosed