SCHEMBL5500683

SCHEMBL5500683

Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1NS(=O)(=O)CF

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PPARA Q07869 9/20 0.42
PPARG P37231 4/20 0.42
CHRM4 P08173 1/20 0.42
PPARD Q03181 3/20 0.41
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
FFAR1 O14842 4/20 0.37

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
SCHEMBL4027265 0.91 PPARA (0.47) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL4035863 0.87 PROKR1 (0.46) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL28754207 0.84 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL27616094 0.84 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL27616088 0.84 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL4032229 0.84 PROKR1 (0.43) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL27635120 0.84 PROKR1 (0.48) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL4031382 0.83 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL4030709 0.83 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA
SCHEMBL4033034 0.83 PROKR1 (0.49) PROKR1NPC1ALDH1A1GAAPPARA

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-1765320-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS Pfizer Products Incorporated (US) 2007-03-28 EP disclosed
WO-2005115369-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed