SCHEMBL2436610

SCHEMBL2436610

CC(C)(Oc1cccc(CNCC2CCCCC2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
BCL9 O00512 5/20 0.50
CTNNB1 P35222 5/20 0.50
ALDH1A1 P00352 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARD Q03181 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2436874 0.81 MEN1 (0.58) BCL9CTNNB1HDAC6MEN1KMT2A
SCHEMBL6543337 0.79 POLB (0.58) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL6542960 0.78 TAAR1 (0.56) PPARAPPARGBCL9CTNNB1ALDH1A1
SCHEMBL12953654 0.76 KMT2A (0.58) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL7946795 0.75 GLS (0.48) HDAC6NPC1RAB9A
SCHEMBL12953910 0.75 KDM4E (0.59) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL3125633 0.75 NPC1 (0.57) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL2436611 0.74 BCL9 (0.49) PPARAPPARGBCL9CTNNB1
SCHEMBL5795203 0.73 PPARG (0.64) PPARAPPARGMEN1KMT2APPARD
SCHEMBL12953991 0.73 PPARA (0.59) PPARAPPARGALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed