SCHEMBL6001865

SCHEMBL6001865

COC(=O)CCCCC(CCc1ccccc1OCCCCc1ccccc1)Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
MTNR1B P49286 2/20 0.38
MTNR1A P48039 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
SCHEMBL13443503 0.90 PPARD (0.44) PPARGPPARDPPARATDP1L3MBTL1
SCHEMBL6280259 0.85 PPARG (0.42) PPARGPPARAFAAHMAPTPDE4A
SCHEMBL13443505 0.84 L3MBTL1 (0.47) L3MBTL1ABCB1
SCHEMBL13443506 0.84 L3MBTL1 (0.46) L3MBTL1MAPTABCB1
SCHEMBL13443515 0.83 MAPT (0.46) MAPTABCB1
SCHEMBL6002376 0.83 NPSR1 (0.44) TDP1L3MBTL1MAPTRAB9APTGER1
SCHEMBL13443507 0.82 KEAP1 (0.44) TDP1MAPTABCB1
SCHEMBL3591129 0.82 MAPT (0.39) PPARGPPARATDP1L3MBTL1MAPT
SCHEMBL3589134 0.81 PPARG (0.35) PPARGPPARDPPARATDP1L3MBTL1
SCHEMBL13443504 0.81 MAPK14 (0.46) PPARGPPARDL3MBTL1FAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed