SCHEMBL9978219

SCHEMBL9978219

CC(C)(C(=O)NCCSc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.50
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR2 P41597 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 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
SCHEMBL9978070 0.89 CNR1 (0.48) PPARDCNR2CNR1L3MBTL1NPC1
SCHEMBL9978203 0.89 CNR1 (0.45) PPARDCNR2CNR1ALDH1A1MAPT
SCHEMBL9978177 0.88 PPARD (0.52) PPARDCNR2CNR1LMNAHTT
SCHEMBL9978222 0.87 CNR2 (0.50) PPARDCNR2CNR1TRPV4L3MBTL1
SCHEMBL9978214 0.86 CNR2 (0.48) PPARDCNR2CNR1MAPTSMN1; SMN2
SCHEMBL9978202 0.85 CNR1 (0.47) PPARDCNR2CNR1
SCHEMBL9978218 0.85 CNR1 (0.46) PPARDCNR2CNR1L3MBTL1NPC1
SCHEMBL9978215 0.84 CNR1 (0.48) PPARDCNR2CNR1POLB
SCHEMBL9978198 0.83 PPARD (0.45) PPARDCNR2CNR1LMNA
SCHEMBL9978221 0.83 CNR1 (0.45) PPARDCNR2CNR1MAPTLMNA

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed