SCHEMBL4660099

SCHEMBL4660099

COc1cccc(OC)c1C(c1cccc2ccccc12)C(C#N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
KRAS P01116 2/20 0.38
SOS1 Q07889 2/20 0.38
GFER P55789 1/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL4659895 0.94 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4659897 0.94 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL6404486 0.94 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4659898 0.86 MEN1 (0.44) KMT2AMEN1L3MBTL1SLC6A4ALDH1A1
SCHEMBL4663676 0.85 ALDH1A1 (0.43) LMNAALDH1A1GAA
SCHEMBL4661393 0.85 KMT2A (0.47) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4661547 0.85 ALDH1A1 (0.46) KMT2AMEN1LMNAALDH1A1PTGS1
SCHEMBL4661666 0.84 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL4660088 0.83 ALDH1A1 (0.41) LMNAALDH1A1GAA
SCHEMBL4661599 0.81 MEN1 (0.43) KMT2AMEN1L3MBTL1LMNASLC6A4

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 claimed