SCHEMBL4451629

SCHEMBL4451629

O=CCCCCc1cccc(COc2ccc(Br)c(CO)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
MAOA P21397 3/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
MGLL Q99685 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL31748829 0.76 MAOB (0.54) MAOBCYP4F2CYP4A11
SCHEMBL7778339 0.74 F2 (0.46) MAOBMAOAMRGPRX4PTPRCPTPN1
SCHEMBL595682 0.72 FFAR1 (0.54) MAOBMAOACYP4F2CYP4A11FFAR1
SCHEMBL597118 0.71 MRGPRX4 (0.46) MAOBMRGPRX4
SCHEMBL20964402 0.70 PPARA (0.52) CYP4F2CYP4A11PPARAMGLL
SCHEMBL16863738 0.70 MAOB (0.50) MAOBMAOA
SCHEMBL7867586 0.69 BCHE (0.62) FFAR1FFAR4MGLL
SCHEMBL96303 0.68 TAAR1 (0.52) MAOBMAOA
SCHEMBL11219508 0.68 MGLL (0.55) MGLL
SCHEMBL11197529 0.68 CHRM2 (0.58) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-1988779-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2008-11-12 EP disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed