SCHEMBL18922728

SCHEMBL18922728

C=C(CC(=O)NCCOCCOCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2605612 0.91 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL18922729 0.83 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL25984078 0.82 TSHR (0.40) MEN1KMT2AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL15745539 0.80 RIPK1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL15255244 0.80 MEN1 (0.52) THRBMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL18199506 0.80 MEN1 (0.52) THRBMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL23518687 0.78 MEN1 (0.46) THRBMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL25516086 0.78 MEN1 (0.46) THRBMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL7559812 0.78 MEN1 (0.46) THRBMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL9735108 0.77 EPHX2 (0.44) THRBMEN1KMT2AEPHX2SMN1; SMN2

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
US-9668944-B2 Dental composition DENTSPLY INTERNATIONAL INC. (US) 2017-06-06 US disclosed