SCHEMBL9502233

SCHEMBL9502233

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2cccc3cc4cc5ccccc5cc4cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
ESR2 Q92731 4/20 0.44
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
ENPP1 P22413 1/20 0.38
ALOX5 P09917 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
SCHEMBL27610205 0.91 ESR1 (0.51) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL28606956 0.90 ESR1 (0.50) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL3260909 0.88 TNF (0.48) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL28848951 0.88 TNF (0.48) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL1309613 0.88 TNF (0.48) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL23327305 0.88 TNF (0.48) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL28725947 0.86 ESR1 (0.44) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL60347 0.86 TNF (0.50) ESR1ESR2CES1ALDH1A1HPGD
SCHEMBL3460804 0.86 ESR1 (0.50) ESR1ESR2ALDH1A1HPGDMEN1
SCHEMBL30332794 0.86 TNF (0.50) ESR1ESR2CES1ALDH1A1HPGD

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-0235038-B1 VISIBLE-RAY RECORDING HOLOGRAM MATERIAL FUJITSU LIMITED (JP) 1993-05-26 EP claimed