SCHEMBL2758484

SCHEMBL2758484

CCC(C)c1ccc(OC(C)OCCOc2ccc3c(OC)cccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 7/20 0.36
NQO1 P15559 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MAPT P10636 4/20 0.33
SLC7A5 Q01650 1/20 0.33
TSHR P16473 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 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
SCHEMBL2758481 0.92 CYP2D6 (0.46) CYP2D6NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2758485 0.89 ALDH1A1 (0.36) CYP2D6NPSR1MAPK1ALDH1A1NQO1
SCHEMBL3321919 0.87 CYP2D6 (0.40) CYP2D6NPSR1MAPK1MEN1KMT2A
SCHEMBL2758471 0.85 ALDH1A1 (0.36) NPSR1ALDH1A1MEN1KMT2ATDP1
SCHEMBL2758472 0.85 SLC6A2 (0.36) CYP2D6NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2758478 0.84 TDP1 (0.48) MAPK1ALDH1A1MEN1KMT2ATDP1
SCHEMBL683310 0.84 ABCB11 (0.46) NPSR1ALDH1A1MEN1KMT2ATDP1
SCHEMBL2758474 0.83 HTR1B (0.46) KMT2ASLC6A4
SCHEMBL2758470 0.83 NPSR1 (0.49) NPSR1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL2758468 0.83 HIF1A (0.46) CYP2D6NPSR1ALDH1A1MEN1KMT2A

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
US-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed