SCHEMBL4734533

SCHEMBL4734533

CC1(C)COc2ccc(C(=O)C(=O)c3ccc(F)c(Br)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
RARG P13631 7/20 0.49
RARA P10276 6/20 0.49
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
RXRA P19793 2/20 0.46
MAOB P27338 2/20 0.43
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NOTUM Q6P988 2/20 0.38
ALOX5 P09917 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL3542625 0.76 RARB (0.71) RARBRARGRARAPTGS1PTGS2
SCHEMBL3547915 0.76 RARB (0.63) RARBRARGRARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL11212968 0.75 RARB (0.69) RARBRARGRARAPTGS1PTGS2
SCHEMBL11212966 0.75 RARB (0.58) RARBRARGRARAPTGS1PTGS2
SCHEMBL4734952 0.74 MAOB (0.40) RXRAMAOBCES2CES1
SCHEMBL4737812 0.72 PKM (0.43) RXRAMAOBCES2CES1NPC1
SCHEMBL5656242 0.72 RARB (0.55) RARBRARGRARAPTGS1PTGS2
SCHEMBL16744298 0.72 RARB (0.73) RARBRARGRARAPTGS1PTGS2
SCHEMBL5658641 0.72 PTGS2 (0.64) RARBRARGRARAPTGS1PTGS2
SCHEMBL5654554 0.72 RARB (0.55) RARBRARGRARAPTGS1PTGS2

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
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed