SCHEMBL6237290

SCHEMBL6237290

COc1cc(OCc2ccc(C(F)(F)F)cc2)cc(OC)c1CNCCC(C)Cc1ncc(C)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.36
PPARA Q07869 9/20 0.36
PPARD Q03181 7/20 0.36
CTSA P10619 1/20 0.36
CD274 Q9NZQ7 6/20 0.36
PPARG P37231 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL6234948 0.89 PTPRZ1 (0.38) PPARDCD274
SCHEMBL6271288 0.89 PTPRZ1 (0.38) PPARDCD274
SCHEMBL6235523 0.80 SMN1; SMN2 (0.43) CD274MEN1KMT2A
SCHEMBL6233515 0.78 BCHE (0.41) CD274MEN1KMT2A
SCHEMBL6231278 0.77 PTPRZ1 (0.41) PPARDCD274MEN1KMT2A
SCHEMBL6236047 0.77 CTSA (0.45) CTSACD274
SCHEMBL6253469 0.77 CTSA (0.42) TMEM97PPARAPPARDCTSACD274
SCHEMBL6237287 0.77 CTSA (0.42) TMEM97PPARAPPARDCTSACD274
SCHEMBL6233779 0.76 CD274 (0.49) CD274MEN1KMT2A
SCHEMBL6236045 0.75 CTSA (0.43) PPARDCTSACD274PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed