SCHEMBL15049513

SCHEMBL15049513

CCCOCCC(C)CCOC(N)CCN

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL237587 0.86 CYP3A4 (0.32) HSD17B10TDP1
SCHEMBL11023381 0.81 HTT (0.41)
SCHEMBL9192646 0.77 HSD17B10 (0.48) HSD17B10TDP1
SCHEMBL3492554 0.74 DNM1 (0.42) TDP1
SCHEMBL27262121 0.73 HSD17B10 (0.41) HSD17B10TDP1
SCHEMBL28580084 0.73 GABBR2 (0.31)
SCHEMBL24501683 0.72 TSHR (0.36) HSD17B10
SCHEMBL29300354 0.72 TSHR (0.36) HSD17B10
SCHEMBL21126317 0.72 TSHR (0.36) HSD17B10
SCHEMBL6610050 0.72 DNM1 (0.50)

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
EP-2326689-B1 AQUEOUS COATING COMPOSITION AND PREPARATION THEREOF NUPLEX RESINS BV (NL) 2013-06-26 EP disclosed