SCHEMBL23616458

SCHEMBL23616458

OC1(c2ccccc2)CCC(O)(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.44
ASIC3 Q9UHC3 1/20 0.42
SYK P43405 2/20 0.41
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.39
TGFBR1 P36897 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
PLAU P00749 1/20 0.38
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
OPRD1 P41143 1/20 0.36
GSK3B P49841 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL19970161 0.82 ASIC3 (0.42) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL17694751 0.80 ASIC3 (0.61) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL29854571 0.80 ASIC3 (0.61) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL24291931 0.80 ASIC3 (0.61) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL912763 0.79 ASIC3 (0.63) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL29578028 0.79 ASIC3 (0.63) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL26060939 0.77 ASIC3 (0.41) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL27724751 0.77 ASIC3 (0.61) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL29794052 0.77 ASIC3 (0.61) SMOASIC3MAP4K4PIM1TGFBR1
SCHEMBL21692157 0.77 ASIC3 (0.65) SMOASIC3PIM1TGFBR1PLAU

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-3297051-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-07-07 EP disclosed