SCHEMBL17859347

SCHEMBL17859347

c1ccc(C(SCC2CO2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL22013205 0.72 KIF11 (0.48) KIF11
SCHEMBL3319132 0.69 MEN1 (0.45) KIF11MEN1KMT2ATDP1
SCHEMBL5513100 0.69 DRD4 (0.47) MEN1KMT2ATDP1
SCHEMBL16492411 0.69 MEN1 (0.45) KIF11MEN1KMT2ATDP1
SCHEMBL5143932 0.69 DRD4 (0.47) MEN1KMT2ATDP1
SCHEMBL25359833 0.69 MEN1 (0.45) MEN1KMT2ATDP1
Benzyl(Trityl)Sulfane SCHEMBL7543647 0.69 KIF11 (0.54) KIF11
SCHEMBL29174470 0.67 ACHE (0.44) KIF11
SCHEMBL1402349 0.67 TDP1 (0.41) MEN1KMT2ATDP1
SCHEMBL9509623 0.67 MEN1 (0.42) MEN1KMT2ATDP1

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
WO-2016096590-A1 SYNTHETIC ENZYME MIMIC BASED ON A HISTIDINE SCAFFOLD UNILEVER PLC (GB) 2016-06-23 WO disclosed