SCHEMBL18630146

SCHEMBL18630146

C=CC(=O)NCc1cc(CC)cc(CNC(C)=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
F13A1 P00488 1/20 0.34
HSPA5 P11021 1/20 0.33
SETDB1 Q15047 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 1/20 0.32
NLRP1 Q9C000 1/20 0.32

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
SCHEMBL18630143 0.94 TGM2 (0.46) TGM2GAAKMT2AMEN1MAPK1
SCHEMBL18636747 0.85 GAA (0.43) TGM2GAAL3MBTL1KMT2AMEN1
SCHEMBL11795978 0.84 TGM2 (0.50) TGM2GAAMAPK1ALDH1A1TSHR
SCHEMBL21342737 0.79 TRPV1 (0.45) GAAL3MBTL1KMT2AMEN1MAPK1
SCHEMBL18630147 0.79 TGM2 (0.49) TGM2GAAKMT2AMEN1MAPK1
SCHEMBL11793243 0.78 TGM2 (0.46) TGM2GAAMAPK1ALDH1A1TSHR
SCHEMBL22855686 0.78 GAA (0.47) TGM2GAAKMT2AMEN1MAPK1
SCHEMBL28511134 0.76 TGM2 (0.49) TGM2GAAKMT2AMAPK1ALDH1A1
SCHEMBL11796052 0.75 GAA (0.45) TGM2GAAZDHHC20ZDHHC2TRPV1
SCHEMBL27978331 0.73 TGM2 (0.46) TGM2GAAKMT2AMAPK1ALDH1A1

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
EP-3518863-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-11-15 EP disclosed
WO-2017042333-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2017-03-16 WO disclosed