SCHEMBL7657654

SCHEMBL7657654

CCCOc1ccc(Br)c(C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MAOA P21397 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
CA9 Q16790 1/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PLK1 P53350 1/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARD Q03181 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5696587 0.87 THRA (0.53) MAOBMAOAMAPTKMT2ACA9
SCHEMBL3988817 0.87 KDM4E (0.57) MAOBMAOAMAPTKMT2ACA9
SCHEMBL28281865 0.84 PLA2G2A (0.47) MAOBMAOAMAPTKMT2ATP53
SCHEMBL1415014 0.82 MAOB (0.58) MAOBMAOAKMT2APPARD
SCHEMBL30494432 0.81 PTPN11 (0.58) TP53THRATHRB
SCHEMBL16136229 0.81 PTPN11 (0.58) TP53THRATHRB
SCHEMBL8218438 0.80 LMNA (0.55) MAOBMAPTKMT2ACA9L3MBTL1
SCHEMBL1415363 0.79 CA9 (0.50) MAOBMAPTKMT2ACA9THRA
SCHEMBL8172211 0.79 THRB (0.52) MAOBMAPTKMT2ACA9THRA
SCHEMBL30231667 0.79 MAOB (0.71) MAOBMAOAMAPK1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed
EP-1019397-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2001-01-17 EP disclosed
US-6143907-A 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed
EP-1019397-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP disclosed
WO-1997017341-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed