SCHEMBL21836053

SCHEMBL21836053

C=C(C)C(=O)OCCc1ccc(O)c(-n2nc3ccccc3n2)c1.C=CC(=O)OCCc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
APP P05067 6/20 0.40
THRB P10828 1/20 0.36
MET P08581 5/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TTR P02766 2/20 0.35
ALOX5 P09917 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL29147588 0.96 LMNA (0.38) LMNANPC1RAB9AAPPTHRB
SCHEMBL93485 0.93 NPC1 (0.47) LMNANPC1RAB9AAPPTHRB
SCHEMBL29358846 0.93 NPC1 (0.47) LMNANPC1RAB9AAPPTHRB
SCHEMBL28333228 0.93 LMNA (0.38) LMNANPC1RAB9AAPPTHRB
SCHEMBL29378372 0.92 APP (0.46) LMNANPC1RAB9AAPPTHRB
SCHEMBL259532 0.92 APP (0.46) LMNANPC1RAB9AAPPTHRB
SCHEMBL8823408 0.89 LMNA (0.43) LMNANPC1RAB9AAPPMET
SCHEMBL23121469 0.87 NPC1 (0.44) LMNANPC1RAB9AAPPTHRB
SCHEMBL373620 0.87 NPC1 (0.45) LMNANPC1RAB9AAPPMET
SCHEMBL29382102 0.87 NPC1 (0.45) LMNANPC1RAB9AAPPMET

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
EP-3632943-A1 ACTIVE ENERGY CURABLE RESIN COMPOSITION, HARD COAT LAMINATED FILM, AND FILM FOR APPLICATION TO GLASS Riken Technos Corporation (JP) 2020-04-08 EP disclosed