SCHEMBL19543777

SCHEMBL19543777

CCOCN(CC1CCCC(CN(COCC)CC2CO2)C1)CC1CO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25658677 0.98 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL21471760 0.88
SCHEMBL20243636 0.85 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1
SCHEMBL21100722 0.83 OPRM1 (0.31)
SCHEMBL24288 0.81 OPRM1 (0.32)
SCHEMBL31410770 0.81 OPRM1 (0.32)
SCHEMBL23449016 0.80
SCHEMBL21132003 0.78 KDM4E (0.32)
SCHEMBL22182531 0.78 OPRM1 (0.33)
SCHEMBL16640958 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1

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
US-20170313918-A1 EPOXY ADHESIVE, AUTOMOTIVE MEMBER, AND METHOD FOR MANUFACTURING SAME 3M INNOVATIVE PROPERTIES COMPANY 2017-11-02 US disclosed