SCHEMBL9978217

SCHEMBL9978217

CC(C)(C(=O)NCCSc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GAA P10253 2/20 0.42
PPARD Q03181 8/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9978214 0.92 CNR2 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9937741 0.91 CNR1 (0.50) CNR1CNR2PPARDALDH1A1
SCHEMBL9978222 0.86 CNR2 (0.50) CNR1CNR2PPARDL3MBTL1POLB
SCHEMBL9978039 0.86 CNR1 (0.48) CNR1CNR2GAAPPARDALDH1A1
SCHEMBL9978215 0.85 CNR1 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9978177 0.85 PPARD (0.52) CNR1CNR2PPARDL3MBTL1POLB
SCHEMBL9978045 0.85 CNR1 (0.48) CNR1CNR2PPARDALDH1A1L3MBTL1
SCHEMBL9978036 0.84 MTNR1A (0.47) CNR1CNR2PPARDALDH1A1POLB
SCHEMBL9978063 0.83 CNR2 (0.48) CNR1CNR2PPARDALDH1A1KDM4E
SCHEMBL9978218 0.83 CNR1 (0.46) CNR1CNR2PPARDL3MBTL1

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