SCHEMBL8551228

SCHEMBL8551228

CC(=O)C(Br)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
CA2 P00918 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
FFAR1 O14842 1/20 0.40
NPY5R Q15761 1/20 0.39

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
SCHEMBL622334 0.89 BRD4 (0.59) BRD4
SCHEMBL11638827 0.84 PPARA (0.50) FNTAFNTBUTS2RFFAR1NPY5R
SCHEMBL11562437 0.83 FNTA (0.45) FNTAFNTBHPGDMMP2MMP9
SCHEMBL13235878 0.81 BRD4 (0.50) BRD4FNTAFNTBHPGDMAPT
SCHEMBL8933321 0.78 ALDH1A1 (0.47) MAPTRAB9ACA2CA9CA14
SCHEMBL8308368 0.77 LMNA (0.53) MAPTALDH1A1
SCHEMBL5463742 0.75 CYP2C9 (0.44) BRD4HPGDRAB9AALDH1A1
SCHEMBL8297380 0.73 MAOA (0.60) FNTAFNTBMAOAMAOBMMP2
SCHEMBL473478 0.73 L3MBTL1 (0.49) BRD4ALDH1A1L3MBTL1CNR2
SCHEMBL6444084 0.72 MEN1 (0.49) FNTAFNTBHPGDRAB9AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed