SCHEMBL17490928

SCHEMBL17490928

C=C(OC(=O)O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
TET2 Q6N021 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14228120 0.81 ALDH1A1 (0.33) DGAT1
SCHEMBL14174069 0.80 HDAC6 (0.36) DGAT1HSD17B10TDP1
SCHEMBL11037398 0.76 TDP1 (0.39) TET2HSD17B10TDP1
SCHEMBL322941 0.74 HSD17B10 (0.35) HSD17B10TDP1
SCHEMBL18055952 0.74 HSD17B10 (0.39) HSD17B10TDP1
SCHEMBL68474 0.74 ELANE (0.38) DGAT1
SCHEMBL7860268 0.74 ELANE (0.38) DGAT1
Ethylene SCHEMBL18227133 0.73 DGAT1 (0.46) DGAT1TDP1
SCHEMBL4725721 0.72 ELANE (0.36) DGAT1HSD17B10TDP1
SCHEMBL28050908 0.72 ELANE (0.36) DGAT1

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-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed