SCHEMBL14595232

SCHEMBL14595232

CCCC(O)COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
HIF1A Q16665 1/20 0.61
AR P10275 1/20 0.56
MAPT P10636 4/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CASR P41180 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL11650773 0.94 HTT (0.68) HTTHIF1AARMAPTGAA
SCHEMBL19677523 0.90 HTT (0.62) HTTHIF1AARMAPTGAA
SCHEMBL1708894 0.89 HTT (0.65) HTTHIF1AARMAPTGAA
SCHEMBL12266064 0.88 HTT (0.61) HTTHIF1AARMAPTGAA
SCHEMBL801366 0.88 HTT (0.60) HTTHIF1AARMAPTGAA
SCHEMBL15501759 0.84 HTT (0.58) HTTHIF1AARMAPTGAA
SCHEMBL1101533 0.84 HTT (0.58) HTTHIF1AARMAPTGAA
SCHEMBL17324142 0.83 HTT (0.53) HTTHIF1AARMAPTGAA
SCHEMBL19757595 0.81 HIF1A (0.55) HTTHIF1AARMAPTGAA
SCHEMBL11964790 0.81 HTT (0.67) HTTHIF1AARMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908844-B2 Epoxy resin oligomer with second order nonlinear optical properties, chromophores, and method of manufacturing the oligomer-containing crosslink layered epoxy/MMT composite material with second order nonlinear optical properties NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2018-03-06 US disclosed
US-20070018778-A1 Temperature-sensing device HITACHI, LTD. (JP) 2007-01-25 US disclosed