SCHEMBL8926641

SCHEMBL8926641

CCNc1ccc(F)cc1OCc1ccc(C(=O)OC)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GSK3B P49841 1/20 0.39
BACE1 P56817 1/20 0.39
ROCK2 O75116 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
STRADA Q7RTN6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 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
SCHEMBL8926780 0.82 MAPK14 (0.51) MAPK14MAOBMAPTGAAEGFR
SCHEMBL14157006 0.79 MAPK14 (0.49) MAPK14MAOBNPC1LMNAMAPT
SCHEMBL8924125 0.79 ALDH1A1 (0.49) MAPK14MAOBLMNAMAPTRAB9A
SCHEMBL14157034 0.76 MAOB (0.53) MAPK14MAOBLMNAMAPTRAB9A
SCHEMBL4123831 0.74 DPP4 (0.51) LMNAMAPTSMN1; SMN2GAA
SCHEMBL25933615 0.73 DPP4 (0.48) NPC1MAPTRAB9APPARAGAA
SCHEMBL20236380 0.73 MAPT (0.45) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL20772880 0.73 MAOB (0.50) MAPK14MAOBMAPTGAAEGFR
SCHEMBL14156933 0.72 MAOB (0.49) MAPK14MAOBNPC1LMNAMAPT
SCHEMBL5297104 0.72 MAOB (0.51) MAPK14MAOBLMNAMAPTPPARA

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
US-5639906-A Fluorescent and NMR sensitive pH indicators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-06-17 US disclosed