SCHEMBL6665337

SCHEMBL6665337

C=CC1CCC(CC(F)(F)OCc2ccc(C#N)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
DRD4 P21917 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
TACR1 P25103 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPA1 O75762 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP2A6 P11509 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL6665331 1.00 GAA (0.33) GAAMAOBMAOANPC1RAB9A
SCHEMBL6665861 0.89 MAOB (0.34) GAAMAOBMAOANPC1RAB9A
SCHEMBL6665855 0.89 MAOB (0.34) GAAMAOBMAOANPC1RAB9A
SCHEMBL6663298 0.86 GAA (0.32) GAAMAOBMAOANPC1RAB9A
SCHEMBL6663290 0.86 GAA (0.32) GAAMAOBMAOANPC1RAB9A
SCHEMBL6663294 0.86 GAA (0.32) GAAMAOBMAOANPC1RAB9A
SCHEMBL6662562 0.85 HSD11B1 (0.34) GAAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6661993 0.84 IDO1 (0.40) MAOBTACR1KMT2A
SCHEMBL6665259 0.84 AGXT (0.33)
SCHEMBL6665253 0.84 AGXT (0.33)

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed