SCHEMBL27718552

SCHEMBL27718552

CC(C)(C)NC(=O)OCCc1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
GLA P06280 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
GAA P10253 1/20 0.42
VNN1 O95497 1/20 0.41
LMNA P02545 1/20 0.40
FOLH1 Q04609 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK8 P45983 1/20 0.40
RAB9A P51151 1/20 0.40
MGLL Q99685 1/20 0.40
GSK3B P49841 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL28772042 0.84 PPARD (0.46) CNR1RAB9ASMN1; SMN2
SCHEMBL28776560 0.81 TYR (0.53) MGLL
SCHEMBL30898243 0.81 MGLL (0.43) GLARAB9AMGLLSMN1; SMN2PDK1
SCHEMBL27832828 0.80 LOXL2 (0.46) GLARAB9AMGLLSMN1; SMN2
SCHEMBL27718558 0.80 TAAR1 (0.45) GLALMNARAB9AMGLL
SCHEMBL27787225 0.80 MAOA (0.42) GLARAB9AMGLLSMN1; SMN2
SCHEMBL27720152 0.80 TAAR1 (0.45) CNR1RAB9AMGLLSMN1; SMN2
SCHEMBL23630606 0.79 NPC1 (0.55) GLARAB9AMGLLSMN1; SMN2
SCHEMBL30898286 0.76 NPC1 (0.46) LMNARAB9ASMN1; SMN2PDK1PDK2
SCHEMBL27809141 0.76 CYP2D6 (0.47) LMNATBXA2RRAB9ASMN1; SMN2

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
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed