SCHEMBL24726470

SCHEMBL24726470

CC(C)c1ccc(F)c(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TEAD1 P28347 3/20 0.42
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
EPAS1 Q99814 1/20 0.39
PTGER4 P35408 1/20 0.39
F10 P00742 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19317595 0.82 SLC6A4 (0.44) MAPTPTGER4
SCHEMBL22225305 0.82 STK39 (0.47) PPARGL3MBTL1MAPTNPSR1TEAD1
SCHEMBL14020503 0.82 PPARG (0.51) PPARGL3MBTL1MAPTTEAD1ALDH1A1
SCHEMBL12868961 0.81 LTA4H (0.49) PPARGL3MBTL1MAPTTEAD1PTGER4
SCHEMBL22888655 0.81 DUT (0.43) L3MBTL1
SCHEMBL24726455 0.77 HDAC4 (0.41) PPARGPTGER4KDM4E
SCHEMBL255035 0.73 PNMT (0.55) MAPTNPSR1
SCHEMBL22185405 0.73 PLG (0.41) AKR1C3AKR1C2
SCHEMBL9798371 0.73 LTA4H (0.54) L3MBTL1MAPTNPSR1TEAD1ALDH1A1
SCHEMBL29623441 0.72 NPSR1 (0.56) L3MBTL1MAPTNPSR1TEAD1EPAS1

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
WO-2022234965-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2022-11-10 WO disclosed