SCHEMBL16098323

SCHEMBL16098323

C=CC(=O)N(C)CCCC=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
TSHR P16473 3/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MAPT P10636 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
SCHEMBL16098749 0.88 TSHR (0.33) TSHRZDHHC20ZDHHC2
SCHEMBL16776767 0.85 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2
SCHEMBL14341773 0.85 ZDHHC20 (0.38) TSHRZDHHC20ZDHHC2
SCHEMBL2455781 0.83 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2
SCHEMBL16776749 0.83 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2
SCHEMBL3255350 0.80 ALDH1A1 (0.38) TSHRZDHHC20ZDHHC2
SCHEMBL325417 0.79 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2
SCHEMBL21381236 0.79 ZDHHC20 (0.35) TSHRZDHHC20ZDHHC2
SCHEMBL5483578 0.79 ALDH1A1 (0.36) TSHRZDHHC20ZDHHC2
SCHEMBL991089 0.79 ZDHHC20 (0.35) TSHRZDHHC20ZDHHC2

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
WO-2014147188-A1 TEMPERATURE-RESPONSIVE CATALYSTS EVONIK INDUSTRIES AG (DE) 2014-09-25 WO disclosed
WO-2014147192-A1 TEMPERATURE-RESPONSIVE CATALYSTS EVONIK INDUSTRIES AG (DE) 2014-09-25 WO disclosed