SCHEMBL6040937

SCHEMBL6040937

CNC(O)CCOCCOCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
APP P05067 2/20 0.33

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
SCHEMBL3227281 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29331910 0.83 MEN1 (0.31) MEN1KMT2A
SCHEMBL20372890 0.78 EPHX2 (0.33) MEN1KMT2ATHRBHTTMAPT
SCHEMBL869348 0.77 TSHR (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28148988 0.77
SCHEMBL21477260 0.76 HSD17B10 (0.32) HTTMAPT
SCHEMBL24763174 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21489550 0.75 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL22374843 0.74 ALDH1A1 (0.35) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2711523 0.73

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
EP-1626815-A1 VOC FREE WATER REDUCIBLE COATING VEHICLES Vocfree, Inc. (US) 2006-02-22 EP disclosed
WO-2004105963-A1 VOC FREE WATER REDUCIBLE COATING VEHICLES VOCFREE, INC. (US) 2004-12-09 WO disclosed