SCHEMBL4688458

SCHEMBL4688458

CC(C)(Sc1ccc(O)cc1)C(=O)NC1CCCCC1.CC(C)(Sc1ccc(OCC#N)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
HSD11B1 P28845 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
KLK1 P06870 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL3149646 0.96 MMP9 (0.42) MMP9MMP13ADAM17HSD11B1NPC1
SCHEMBL4689951 0.87 RAB9A (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3149234 0.84 NPC1 (0.49) NPC1RAB9AMAPTPPARGPPARD
SCHEMBL4743366 0.84 SMN1; SMN2 (0.49) RAB9APPARGPPARDPPARAMEN1
SCHEMBL3139824 0.82 RAB9A (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3139387 0.81 KMT2A (0.47) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL3153051 0.80 SMN1; SMN2 (0.52) RAB9APPARGPPARDPPARAMEN1
SCHEMBL3153073 0.80 MEN1 (0.50) NPC1RAB9AMAPTPPARGPPARD
SCHEMBL3144225 0.80 SSTR4 (0.46) NPC1RAB9AMAPTPPARGPPARD
SCHEMBL3135154 0.79 NPC1 (0.61) NPC1RAB9AMAPTPPARGPPARD

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