SCHEMBL10151393

SCHEMBL10151393

CC(C)(OCc1ccc(/C=C/Cn2c(C(=O)c3ccccc3)nc3c2CCCC3)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.64
PPARA Q07869 6/20 0.64
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.34
SLC16A3 O15427 1/20 0.33

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
SCHEMBL2983405 0.94 PPARG (0.70) PPARGPPARAPKMRAB9AKDM4E
SCHEMBL2983401 0.94 PPARG (0.70) PPARGPPARAPKMRAB9AKDM4E
SCHEMBL10151400 0.78 PPARG (0.69) PPARGPPARARAB9AKDM4EALDH1A1
SCHEMBL2977109 0.77 PPARG (0.51) PPARGPPARAPKMRAB9AKDM4E
SCHEMBL10151398 0.73 PPARG (0.47) PPARGPPARASLC16A3
SCHEMBL10151761 0.72 PPARG (0.48) PPARGPPARAALDH1A1MAPTSLC16A3
SCHEMBL13994559 0.71 PPARG (0.67) PPARGPPARARAB9ASMN1; SMN2
SCHEMBL2973717 0.70 PPARG (0.46) PPARGPPARAMAPT
SCHEMBL2973708 0.70 PPARG (0.46) PPARGPPARAMAPT
SCHEMBL13042121 0.70 PPARG (0.46) PPARGPPARAALDH1A1LMNAHTT

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-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed