SCHEMBL5504646

SCHEMBL5504646

CCOc1cccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GLA P06280 1/20 0.49
HCRTR1 O43613 2/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL10749505 0.88 L3MBTL1 (0.51) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL875475 0.85 PARP1 (0.60) L3MBTL1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL27966084 0.84 PARP1 (0.58) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL2362774 0.83 FABP3 (0.58) LMNAGLARAB9AHTTPARP1
Ethenzamide SCHEMBL27612766 0.82 MAPT (0.68) CYP3A4L3MBTL1MEN1KMT2ALMNA
Ethenzamide SCHEMBL25624 0.82 MAPT (0.68) CYP3A4L3MBTL1MEN1KMT2ALMNA
Ethenzamide SCHEMBL4379591 0.80 MAPT (0.66) CYP3A4L3MBTL1MEN1KMT2ALMNA
Ethenzamide SCHEMBL22163775 0.80 MAPT (0.66) CYP3A4L3MBTL1MEN1KMT2ALMNA
Ethenzamide SCHEMBL5401172 0.80 MAPT (0.66) CYP3A4L3MBTL1MEN1KMT2ALMNA
SCHEMBL28192819 0.78 LMNA (0.48) CYP3A4CYP1A2CYP2C19L3MBTL1MEN1

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
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed