Sugi Predict

Sugi Predict / Compounds / SCHEMBL4655704

SCHEMBL4655704

SCHEMBL4655704

CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1(O)c1ccccc1.N#CC1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 18/20 0.61
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL4657158 0.92 PPARG (0.51) PPARGMAOAMAOB
SCHEMBL4658548 0.90 PPARG (0.76) PPARG
SCHEMBL3573324 0.90 PPARG (0.60) PPARGMAOAMAOB
SCHEMBL4656923 0.87 PPARG (0.58) PPARGMAOAMAOB
SCHEMBL3572757 0.81 PPARG (0.50) PPARGMAOAMAOB
SCHEMBL3567986 0.81 PPARG (0.60) PPARGMAOAMAOBPTPN1
SCHEMBL3571176 0.79 PPARG (0.48) PPARGMAOAMAOB
SCHEMBL3569618 0.77 PPARG (0.59) PPARG
SCHEMBL3572311 0.76 MAOB (0.44) PPARGMAOAMAOB
SCHEMBL3572505 0.76 PPARG (1.00) PPARG

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