SCHEMBL23228451

SCHEMBL23228451

O=C(OCc1ccc2c3cccc4cccc(c5cccc1c52)c43)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.67
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL17537989 0.83 TDP1 (0.63) PPARGTDP1KMT2ASLC6A2SLC6A3
SCHEMBL23228307 0.81 KDM4E (0.44) PPARGKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5083020 0.78 PPARG (0.63) PPARGTDP1KMT2ASLC6A2SLC6A3
SCHEMBL19248489 0.77 KMT2A (0.56) PPARGTDP1KMT2ASLC6A2SLC6A3
SCHEMBL17764775 0.77 PPARG (0.55) PPARGKMT2AMAPK1NPSR1NPC1
SCHEMBL9883389 0.75 PPARG (0.52) PPARGTDP1KMT2ANPSR1LMNA
SCHEMBL30275451 0.75 PPARG (0.59) PPARGTDP1KMT2ASLC6A2LMNA
SCHEMBL23228289 0.74 ALDH1A1 (0.38) PPARGTDP1KMT2ANPSR1NPC1
SCHEMBL5085480 0.74 PPARG (0.71) PPARGTDP1KMT2ASLC6A2SLC6A3
SCHEMBL23228422 0.74 NCEH1 (0.46)

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
WO-2021071876-A1 PHOTOLYTIC COMPOUNDS AND TRIPLET-TRIPLET ANNIHILATION MEDIATED PHOTOLYSIS UNIVERSITY OF MASSACHUSETTS (US) 2021-04-15 WO disclosed