SCHEMBL24910282

SCHEMBL24910282

CC(C)c1cc(OC(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.43
GPR3 P46089 5/20 0.41
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.38
P2RY1 P47900 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PIM1 P11309 1/20 0.36
SCN5A Q14524 1/20 0.35
EPHX1 P07099 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CES1 P23141 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL24910284 0.86 PDE2A (0.47) PDE2AGPR3ARALDH1A1KIF11
SCHEMBL21138993 0.84 CYP2D6 (0.42) AR
SCHEMBL13220714 0.83 PDE2A (0.50) PDE2AGPR3ALDH1A1P2RY1KIF11
SCHEMBL12868612 0.80 PDE2A (0.44) PDE2AGPR3ALDH1A1P2RY1KIF11
SCHEMBL12263421 0.80 PDE2A (0.51) PDE2AGPR3ALDH1A1KIF11SLC6A2
SCHEMBL12868975 0.79 PDE2A (0.43) PDE2AGPR3ALDH1A1KIF11SLC6A4
SCHEMBL12133982 0.79 THRA (0.44) PDE2AGPR3ALDH1A1
SCHEMBL13239575 0.77 CYP2D6 (0.47) PDE2AGPR3
SCHEMBL17094652 0.77 CXCR2 (0.42) AR
SCHEMBL24910322 0.76 PDE2A (0.48) PDE2AGPR3ARALDH1A1P2RY1

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