SCHEMBL6994518

SCHEMBL6994518

CSc1ccc(C(=O)Cc2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
NR4A2 P43354 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP10 Q53GL7 1/20 0.42
ESR1 P03372 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC1A1 P43005 2/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6950224 0.85 CES2 (0.46) MAOBALDH1A1ESR1MAPTKDM4E
SCHEMBL21087639 0.82 LMNA (0.44) MAPTL3MBTL1NPC1RAB9A
SCHEMBL3941321 0.81 LMNA (0.47) HAO1NR1H4MAPTL3MBTL1KDM4E
SCHEMBL4772297 0.81 LMNA (0.47) HAO1NR1H4MAPTL3MBTL1KDM4E
SCHEMBL570730 0.81 MAPT (0.51) NR4A2MAPTL3MBTL1SLC1A1CNR2
SCHEMBL3939694 0.81 MAPT (0.61) HAO1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL6999223 0.81 TAS1R3 (0.42) MAOBNR4A2ALDH1A1PARP10MAPT
SCHEMBL22733363 0.80 NR4A2 (0.46) MAOBNR4A2PARP10MAPTL3MBTL1
SCHEMBL8956315 0.80 L3MBTL1 (0.65) MAOBNR4A2PPARGPPARAPARP10
SCHEMBL6511713 0.80 GSK3B (0.46) MAOBNR4A2PPARDPARP10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed