SCHEMBL6969028

SCHEMBL6969028

[CH2]OC(=O)Cc1cccc(SCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.49
PPARA Q07869 10/20 0.49
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DAO P14920 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL23012852 0.85 PPARG (0.55) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL29691478 0.85 PPARG (0.55) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL10718327 0.83 AKR1B1 (0.53) PPARGPPARAMAOAMAOBMEN1
SCHEMBL1587813 0.77 PPARG (0.41) PPARGPPARAMAOAMAOBMEN1
SCHEMBL301328 0.77 ALDH1A1 (0.61) MEN1KMT2AMAPK1
SCHEMBL11551456 0.76 PPARG (0.44) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL4298696 0.75 PPARA (0.79) PPARGPPARAMAPK1HTT
SCHEMBL4301070 0.75 PPARG (0.79) PPARGPPARAFFAR1MAPK1
SCHEMBL3902642 0.74 MAOA (0.50) PPARGPPARAMAOAMAOBMEN1
SCHEMBL30198674 0.73 APEX1 (0.65) MAOAMAOBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed