SCHEMBL21679591

SCHEMBL21679591

CC(C)(O)C(=O)c1ccc(OCCOC(=O)NCCCCCCNC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
HRH3 Q9Y5N1 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL21034810 0.95 CA12 (0.48) CA12CA1CA2CA9HRH3
SCHEMBL21679592 0.91 CA12 (0.39) CA12CA1CA2CA9HRH3
SCHEMBL21034809 0.91 CA12 (0.45) CA12CA1CA2CA9HRH3
SCHEMBL21034803 0.86 CA12 (0.41) CA12CA1CA2CA9HRH3
SCHEMBL13871217 0.82 POLB (0.41) CA12CA1CA2CA9HRH3
SCHEMBL13431250 0.80 MAPT (0.41) CA12CA1CA2CA9NPC1
SCHEMBL13722220 0.80 POLB (0.49) CA12CA1CA2CA9NPC1
SCHEMBL21033752 0.80 THRB (0.49) CA12CA1CA2CA9NPC1
SCHEMBL13431253 0.79 MAPT (0.40) CA12CA1CA2CA9NPC1
SCHEMBL20006396 0.78 MAPT (0.47) RAB9AUSP2ALOX15TSHRMAPK1

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-20200048392-A1 PHYSICALLY CROSSLINKABLE (METH)ACRYLATE COPOLYMER COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2020-02-13 US disclosed