SCHEMBL9778565

SCHEMBL9778565

CC1(c2ccc(OC/C=C/c3ccccc3)cc2)SCCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
PPARG P37231 2/20 0.42
KMT2A Q03164 2/20 0.41
RELA Q04206 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNA10 Q9GZZ6 3/20 0.37
CHRNA9 Q9UGM1 3/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL9778568 1.00 MAOA (0.44) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778671 0.95 MAOA (0.46) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778667 0.95 MAOA (0.46) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778826 0.85 PPARA (0.43) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778834 0.85 PPARA (0.43) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778692 0.80 PPARA (0.45) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778694 0.80 PPARA (0.45) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778729 0.79 LTA4H (0.41) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL9778963 0.77 MAOA (0.44) MAOAMAOBPPARAPPARDPPARG
SCHEMBL9778960 0.77 MAOA (0.44) MAOAMAOBPPARAPPARDPPARG

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed