SCHEMBL8554990

SCHEMBL8554990

CCCCCc1ccc2c(c1)C(=O)N(Oc1ccccc1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.43
PPARG P37231 4/20 0.43
GPR3 P46089 1/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
HSD11B1 P28845 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL13495394 0.77 SKP2 (0.39) PPARAPPARGGPR3NR1H2NR1H3
SCHEMBL31703779 0.73 ALDH1A1 (0.50) MEN1KMT2A
SCHEMBL436166 0.73 ALDH1A1 (0.50) MEN1KMT2A
SCHEMBL29531152 0.72 NPC1 (0.66) GPR3RORARORCRORBLPL
SCHEMBL37031 0.72 NPC1 (0.66) GPR3RORARORCRORBLPL
SCHEMBL27944146 0.71 GPR3 (0.63) GPR3LPLLIPG
Phosphine SCHEMBL28847993 0.71 NPC1 (0.64) GPR3RORARORCRORBLPL
SCHEMBL28232430 0.71 NPC1 (0.64) GPR3RORARORCRORBLPL
SCHEMBL9062730 0.71 NPC1 (0.64) PPARAGPR3RORARORCRORB
SCHEMBL918609 0.71 NPC1 (0.64) PPARAGPR3RORARORCRORB

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed