SCHEMBL28811008

SCHEMBL28811008

C=CC(=O)N[C@@H](C)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
TGM2 P21980 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.40
ACACB O00763 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39

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
SCHEMBL27535714 0.82 L3MBTL1 (0.49) ELANEL3MBTL1ATMMAPK1ALDH1A1
SCHEMBL28285390 0.81 NOS3 (0.47)
Formaldehyde SCHEMBL28231874 0.81 MTNR1A (0.51) ELANEL3MBTL1ATMMAPK1ACACB
SCHEMBL2968424 0.80 MTNR1A (0.54) ELANEL3MBTL1ATMMAPK1ACACB
SCHEMBL27396727 0.79 MAPK1 (0.47) ELANEL3MBTL1ATMMAPK1ALDH1A1
Acrylic Acid SCHEMBL28635814 0.79 TSHR (0.53) ELANETGM2TSHRTHRBACACB
SCHEMBL8583451 0.79 MAPK1 (0.49) ELANEL3MBTL1ATMMAPK1ALDH1A1
SCHEMBL6250510 0.79 MAPK1 (0.49) ELANEL3MBTL1ATMMAPK1ALDH1A1
SCHEMBL10791981 0.78 ELANE (0.53) ELANEALDH1A1MEN1KMT2ALMNA
SCHEMBL11018852 0.76 ATM (0.50) ELANEL3MBTL1ATMMAPK1THRB

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-104048953-A Quick detection method and kit for trace-amount endotoxin UNIV HUAZHONG SCIENCE TECH 2014-09-17 CN disclosed