SCHEMBL24910322

SCHEMBL24910322

CC(C)c1ccc(OC(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.48
GPR3 P46089 5/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AR P10275 1/20 0.38
P2RY2 P41231 1/20 0.37
P2RY1 P47900 1/20 0.37
P2RY14 Q15391 1/20 0.37
KIF11 P52732 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CES1 P23141 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
SCHEMBL13747959 0.89 PDE2A (0.46) PDE2AGPR3SCN10A
SCHEMBL12868612 0.85 PDE2A (0.44) PDE2AGPR3KCNK3KCNK9ALDH1A1
SCHEMBL13220714 0.85 PDE2A (0.50) PDE2AGPR3ALDH1A1P2RY1KIF11
SCHEMBL12883103 0.81 PDE2A (0.63) PDE2AGPR3ALDH1A1
SCHEMBL12883121 0.81 PDE2A (0.48) PDE2AGPR3ALDH1A1
SCHEMBL12889908 0.81 KCNK3 (0.40) PDE2AKCNK3KCNK9ALDH1A1
SCHEMBL8737478 0.81 LMNA (0.46) ALDH1A1SLC6A2
SCHEMBL12868968 0.81 KCNK3 (0.43) PDE2AGPR3KCNK3KCNK9AR
SCHEMBL30903832 0.81 GPR3 (0.42) PDE2AGPR3KIF11SLC6A2SLC6A3
SCHEMBL24683277 0.80 PDE2A (0.47) PDE2AGPR3KCNK3KCNK9ALDH1A1

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-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed