SCHEMBL6687965

SCHEMBL6687965

C/C(=C\CCCCCCCCN(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PAOX Q6QHF9 1/20 0.36
USP2 O75604 1/20 0.36
DNM1 Q05193 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4A O75164 7/20 0.35
KDM4C Q9H3R0 7/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL6687967 1.00 ALDH1A1 (0.41) ALDH1A1TSHRPAOXUSP2DNM1
SCHEMBL8775415 1.00 ALDH1A1 (0.41) ALDH1A1TSHRPAOXUSP2DNM1
SCHEMBL6684829 1.00 ALDH1A1 (0.41) ALDH1A1TSHRPAOXUSP2DNM1
SCHEMBL6684833 1.00 ALDH1A1 (0.41) ALDH1A1TSHRPAOXUSP2DNM1
SCHEMBL8775155 1.00 ALDH1A1 (0.41) ALDH1A1TSHRPAOXUSP2DNM1
SCHEMBL3108917 0.98 ALDH1A1 (0.37) ALDH1A1TSHRPAOXUSP2HSD17B10
SCHEMBL3295908 0.98 ALDH1A1 (0.37) ALDH1A1TSHRPAOXUSP2HSD17B10
SCHEMBL36879 0.92 USP2 (0.37) ALDH1A1TSHRPAOXUSP2HSD17B10
SCHEMBL3670018 0.92 USP2 (0.37) ALDH1A1TSHRPAOXUSP2HSD17B10
SCHEMBL33998 0.92 USP2 (0.37) ALDH1A1TSHRPAOXUSP2HSD17B10

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-2004056896-A1 POLYMERS CONTAINING CATIONIC MACROMONOMERS, AND THEIR USE IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2004-07-08 WO disclosed