SCHEMBL4436987

SCHEMBL4436987

C#Cc1cc2cc(-c3ccccc3)ccc2c(-c2c(Oc3cccc(NO)c3)ccc3cc(-c4ccccc4)ccc23)c1Oc1cccc(NO)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B1 P14061 6/20 0.34
HSD17B2 P37059 6/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2B6 P20813 2/20 0.34
GPR84 Q9NQS5 1/20 0.32
GALK1 P51570 1/20 0.31
CASP6 P55212 1/20 0.31
MCL1 Q07820 1/20 0.31
PLEC Q15149 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.30
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL2747567 0.81 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30873995 0.64 ERN1 (0.48) ESR1ESR2GPR84EGFR
SCHEMBL30874117 0.64 TTR (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30873992 0.64 ESR1 (0.46) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30874037 0.64 HTT (0.47) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30874031 0.64 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30874099 0.62 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL14981161 0.62 MAPT (0.59) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL21858484 0.61 ESR1 (0.51) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL16891251 0.61 MAPT (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2

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
US-7608928-B2 Laminated body and semiconductor device JSR CORPORATION (JP) 2009-10-27 US disclosed
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed