SCHEMBL19059591

SCHEMBL19059591

O=CNCCN(CCOCCC(=O)O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL20418911 0.89 BLM (0.37) BLMPMP22HSD17B10
SCHEMBL16995352 0.86 ADH1B (0.36) BLMPMP22
SCHEMBL23191197 0.80 PMP22 (0.60) BLMPMP22HSD17B10
SCHEMBL18938102 0.80 CAMK2A (0.32)
SCHEMBL25696346 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10
SCHEMBL27446945 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10
SCHEMBL31228430 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10
SCHEMBL26902111 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10
SCHEMBL24798449 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10
SCHEMBL40122 0.79 SMN1; SMN2 (0.34) BLMPMP22HSD17B10

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-2925284-B1 DYE GLOSS AGENT WITH SPECIAL CATIONIC PIGMENTS, TENSIDES AND POLYMERS HENKEL AG & CO KGAA (DE) 2017-06-28 EP disclosed