SCHEMBL28077103

SCHEMBL28077103

CC(NC(=O)C#CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.37
RAB9A P51151 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
FAAH O00519 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL22168394 0.81 ALDH1A1 (0.38) ALDH1A1CA2CA1MEN1TSHR
SCHEMBL29951883 0.74 MME (0.38) MMERAB9AACECPA1ACE2
SCHEMBL18180339 0.69 SMN1; SMN2 (0.47) MMERAB9AACECPA1ACE2
SCHEMBL21202140 0.69 SMN1; SMN2 (0.47) MMERAB9AACECPA1ACE2
SCHEMBL1152458 0.69
SCHEMBL18125953 0.69
SCHEMBL1152456 0.69
SCHEMBL10403225 0.69
SCHEMBL4150721 0.67
SCHEMBL330308 0.67

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
CN-102405039-B Comprise cosmetics or skin composition and cosmetic treatment method containing the polymer of connecting group 莱雅公司 2016-06-08 CN disclosed