SCHEMBL17034129

SCHEMBL17034129

C=C(C)C(=O)OCCNC(=O)OCc1ccccc1OCC(O)COC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.45
HTR1A P08908 4/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB1 P08588 11/20 0.41

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
SCHEMBL17034340 0.98 ADRB2 (0.45) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034297 0.94 ADRB2 (0.43) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034277 0.92 ADRB2 (0.45) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034343 0.92 ADRB2 (0.43) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034345 0.90 ADRB2 (0.45) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL13380525 0.88 LMNA (0.43) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL12446625 0.85 LMNA (0.40) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17036961 0.84 LMNA (0.52) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034128 0.84 ADRB2 (0.46) ADRB2HTR1ALMNASMN1; SMN2KDM4E
SCHEMBL17034289 0.83 L3MBTL1 (0.40) ADRB2HTR1ALMNASMN1; 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
WO-2015126666-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed