SCHEMBL4743366

SCHEMBL4743366

CC(C)(Sc1ccc(O)cc1)C(=O)NC1CCCCC1.CC(C)(Sc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 4/20 0.48
SGMS2 Q8NHU3 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
MEN1 O00255 3/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3153051 0.97 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDRXFP1
SCHEMBL4689951 0.87 RAB9A (0.53) SMN1; SMN2ALDH1A1HPGDKMT2AMEN1
SCHEMBL3149234 0.84 NPC1 (0.49) SMN1; SMN2ALDH1A1HPGDKMT2APPARG
SCHEMBL4688458 0.84 MMP9 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDRXFP1
SCHEMBL3139387 0.83 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2APPARGPPARD
SCHEMBL3139824 0.82 RAB9A (0.57) SMN1; SMN2ALDH1A1HPGDKMT2AMEN1
SCHEMBL3149061 0.81 RAB9A (0.54) SMN1; SMN2ALDH1A1HPGDKMT2APPARG
SCHEMBL3144225 0.80 SSTR4 (0.46) ALDH1A1KMT2APPARGPPARDPPARA
SCHEMBL3153073 0.80 MEN1 (0.50) ALDH1A1KDM4EKMT2APPARGPPARD
SCHEMBL13313677 0.79 PPARG (0.43) ALDH1A1KMT2APPARGPPARDPPARA

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-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP disclosed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP disclosed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO disclosed