SCHEMBL9978071

SCHEMBL9978071

CC(C)(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
GLA P06280 1/20 0.50
PPARD Q03181 7/20 0.49
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP8 P22894 1/20 0.43
MLYCD O95822 1/20 0.42
ESRRG P62508 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9937870 0.94 POLB (0.51) CNR1CNR2GLAPPARDPLAAT3
SCHEMBL9978065 0.89 CNR1 (0.50) CNR1CNR2GLAPPARDPOLB
SCHEMBL9978149 0.87 CNR1 (0.53) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978037 0.85 CNR1 (0.51) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9937741 0.84 CNR1 (0.50) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978072 0.83 CNR1 (0.49) CNR1CNR2PPARDMAPTRAB9A
SCHEMBL9978092 0.83 CNR1 (0.55) CNR1CNR2PPARDPOLB
SCHEMBL9978045 0.83 CNR1 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9978007 0.82 CNR1 (0.52) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978050 0.80 CNR1 (0.50) CNR1CNR2PPARDNPC1RAB9A

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