SCHEMBL17034792

SCHEMBL17034792

c1ccc(-c2ccccc2-c2c3ccccc3cc3cccc(-c4cccc5cc6ccccc6c(-c6ccccc6-c6ccccc6)c45)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.57
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CASP1 P29466 2/20 0.47
HIF1A Q16665 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ANPEP P15144 1/20 0.44
MAPT P10636 1/20 0.44
MPI P34949 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
ERBB2 P04626 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL4277434 0.93 CES1 (0.57) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL30505694 0.91 CES1 (0.56) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL22418779 0.91 CES1 (0.56) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL4444025 0.90 CES1 (0.51) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL69110 0.89 CES1 (0.65) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL29531588 0.89 CES1 (0.65) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL29220862 0.88 CES1 (0.56) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL2519749 0.87 CES1 (0.59) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL2725777 0.87 MEN1 (0.52) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL21358003 0.84 CES1 (0.56) CES1ALDH1A1HPGDTSHRMAPK1

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-9123665-B2 Organic EL device, method for manufacturing the same, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2015-09-01 US disclosed