SCHEMBL28066997

SCHEMBL28066997

C=CC=COCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 5/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25323050 0.86
Tetraethylene Glycol SCHEMBL1696570 0.78 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL1604611 0.78 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21136 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5221666 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL895592 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL23064142 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL23064146 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1401830 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL25283612 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB

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
CN-105713500-A Water-based composition containing light diffused particles and polyurethane resin 罗地亚经营管理公司 2016-06-29 CN disclosed