SCHEMBL9155994

SCHEMBL9155994

O=Cc1ccc(OCc2ccc(OCc3ccc(OCC=Cc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
LCK P06239 1/20 0.54
PPARG P37231 5/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
GSK3B P49841 2/20 0.52
BACE1 P56817 2/20 0.52
PPARA Q07869 4/20 0.52
PPARD Q03181 2/20 0.51
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL9522633 0.91 PPARG (0.55) RAB9APPARGMAOAMAOBPPARA
SCHEMBL9522631 0.91 PPARG (0.55) RAB9APPARGMAOAMAOBPPARA
SCHEMBL2234412 0.86 AOC3 (0.50) RAB9APPARGMAOAMAOBPPARA
SCHEMBL2234415 0.86 AOC3 (0.50) RAB9APPARGMAOAMAOBPPARA
SCHEMBL865349 0.85 RAB9A (0.71) RAB9ALCKPPARGMAOAMAOB
SCHEMBL158270 0.83 RAB9A (0.68) RAB9ALCKPPARGMAOAMAOB
SCHEMBL510256 0.83 RAB9A (0.68) RAB9ALCKMAOAMAOBGSK3B
SCHEMBL23223734 0.81 RAB9A (0.69) RAB9AMAOAMAOBGSK3BBACE1
SCHEMBL11614936 0.81 RAB9A (0.69) RAB9AMAOAMAOBGSK3BBACE1
SCHEMBL1300116 0.80 RAB9A (0.65) RAB9ALCKMAOAMAOBGSK3B

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-5401633-A Immunology, label detection EASTMAN KODAK COMPANY (US) 1995-03-28 US disclosed