SCHEMBL4575126

SCHEMBL4575126

Cc1ccc(-c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(-c4noc(C5CC5)n4)cc3)no2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
FFAR1 O14842 1/20 0.40
PPARA Q07869 7/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PPARG P37231 4/20 0.39

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
SCHEMBL4598247 0.95 PPARA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4574848 0.93 LMNA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4576216 0.93 MEN1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4576160 0.92 PPARA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4575686 0.92 PPARA (0.42) PPARAPPARGPPARDLMNAHTT
SCHEMBL4575831 0.92 PPARA (0.43) FFAR1PPARAPPARGPPARDLMNA
SCHEMBL4575732 0.91 PPARA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4575172 0.90 ALDH1A1 (0.44) PPARANPC1RAB9APPARGPPARD
SCHEMBL4575966 0.90 FABP1 (0.40) PPARAPPARGPPARDLMNAHTT
SCHEMBL4575329 0.90 PPARA (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed