SCHEMBL28081085

SCHEMBL28081085

CCC(NCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.56
CPB2 Q96IY4 7/20 0.48
CPB1 P15086 1/20 0.46
GABRR1 P24046 2/20 0.41
FOLH1 Q04609 3/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36
NOD1 Q9Y239 1/20 0.34
CTH P32929 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL1655757 0.86 GGT1 (0.39) GGT1CPB2FOLH1NAALAD2
SCHEMBL24503897 0.83 GGT1 (0.43) GGT1CPB2CPB1GABRR1
SCHEMBL17319734 0.82 GGT1 (0.37) GGT1CPB2CPB1FOLH1NAALAD2
SCHEMBL23948850 0.82 GGT1 (0.37) GGT1CPB2CPB1FOLH1NAALAD2
SCHEMBL15580316 0.82 GGT1 (0.37) GGT1CPB2CPB1FOLH1NAALAD2
SCHEMBL14420229 0.80 GGT1 (0.36) GGT1FOLH1NAALAD2
SCHEMBL8063770 0.80 GGT1 (0.36) GGT1FOLH1NAALAD2
SCHEMBL880551 0.80 GGT1 (0.58) GGT1CPB2CPB1GABRR1FOLH1
SCHEMBL28581575 0.80 GGT1 (0.58) GGT1CPB2CPB1GABRR1FOLH1
SCHEMBL19514753 0.80 GGT1 (0.69) GGT1CPB2CPB1GABRR1FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203204-B Calcium and magnesium salts as squeakiness enhancers in cleansing compositions 荷兰联合利华有限公司 2017-01-18 CN disclosed
CN-105722496-A Fatty acid esters or liquid alkylpolyglucosides containing sugars with HLB <8 and C8-C18Two-phase compositions of branched alkanes 莱雅公司 2016-06-29 CN disclosed