SCHEMBL4765073

SCHEMBL4765073

COCCOC[C@](C#N)(C(=O)NC(C)(C)C)C(c1ccccc1OC)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A4 P31645 1/20 0.34
GCGR P47871 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL4660192 1.00 ESR1 (0.41) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661315 0.91 ESR1 (0.44) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL5435957 0.90 MEN1 (0.41) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL5433411 0.90 MEN1 (0.41) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL6411925 0.89 ESR1 (0.42) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661319 0.89 ESR1 (0.42) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4659971 0.89 ESR1 (0.42) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661524 0.89 ESR1 (0.42) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4659994 0.89 ESR1 (0.40) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4660067 0.81 ESR1 (0.52) ESR1ESR2MEN1KMT2AL3MBTL1

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-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed