SCHEMBL2907616

SCHEMBL2907616

Cc1cc(OC(C)(C)C(=O)O)c(C)cc1OCCCN(C)c1nc(-c2ccc(OF)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 6/20 0.41
MAPT P10636 2/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 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
SCHEMBL2904547 0.92 PPARD (0.48) TRPA1KMT2AMEN1PPARDPPARA
SCHEMBL2904008 0.92 KMT2A (0.50) TRPA1KMT2AMEN1PPARDPPARA
SCHEMBL2901229 0.91 PPARD (0.47) KMT2AMEN1PPARDPPARAPPARG
SCHEMBL2901188 0.91 RAB9A (0.46) TRPA1KMT2AMEN1PPARDPPARA
SCHEMBL2906810 0.88 PPARD (0.46) KMT2AMEN1PPARDPPARAPPARG
SCHEMBL2903759 0.88 PPARD (0.49) KMT2AMEN1PPARDPPARAMAPT
SCHEMBL2901278 0.88 KMT2A (0.47) TRPA1KMT2AMEN1PPARDPPARA
SCHEMBL2901332 0.86 PPARD (0.49) PPARDPPARAPPARGALDH1A1L3MBTL1
SCHEMBL2906321 0.86 ALDH1A1 (0.43) KMT2AMEN1PPARDPPARAMAPT
SCHEMBL2903628 0.81 PPARD (0.57) PPARDPPARAPPARG

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
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP claimed