SCHEMBL4657355

SCHEMBL4657355

N#CC1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1=O.O=C1C(Br)=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
MAOB P27338 8/20 0.48
MAOA P21397 7/20 0.48
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.39
MGAT2 Q10469 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
SCHEMBL3567986 0.94 PPARG (0.60) PPARGMAOBMAOAPTPN1FFAR1
SCHEMBL3567958 0.90 PPARG (0.63) PPARGMAOBMAOAPTPN1FFAR1
SCHEMBL4656273 0.82 PTPN1 (0.57) PPARGMAOBMAOAPTPN1
SCHEMBL4655924 0.82 PPARG (0.49) PPARGMAOBMAOAMGAT2
SCHEMBL3571521 0.78 PPARG (0.49) PPARGMAOBMAOAFFAR1
SCHEMBL3571519 0.78 PPARG (0.49) PPARGMAOBMAOAFFAR1
SCHEMBL3585202 0.78 PPARG (0.49) PPARGMAOBMAOAFFAR1
SCHEMBL13316126 0.77 PPARG (0.62) PPARGMAOBMAOA
SCHEMBL3573234 0.76 PPARG (0.48) PPARGMAOBMAOA
SCHEMBL3573229 0.76 PPARG (0.48) PPARGMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756036-A4 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-04-16 EP disclosed
EP-1756036-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-02-28 EP disclosed
WO-2005100297-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed