SCHEMBL18922729

SCHEMBL18922729

C=C(CC(=O)NCCOCCOCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 6/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
TLR2 O60603 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NCF1 P14598 1/20 0.30
ENO1 P06733 1/20 0.30

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) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL18922728 0.83 THRB (0.41) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL25984078 0.82 TSHR (0.40) SMN1; SMN2MEN1KMT2AALOX15HSD17B10
SCHEMBL321616 0.82 MEN1 (0.41) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL22368126 0.82 MEN1 (0.41) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL10065799 0.81 ALOX15 (0.39) MEN1KMT2AALOX15HSD17B10
SCHEMBL19172671 0.80 CA2 (0.49) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL28672982 0.80 MEN1 (0.38) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL24040332 0.78 MEN1 (0.41) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL21415394 0.78 CA2 (0.44) SMN1; SMN2MEN1KMT2ACA2CA12

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