SCHEMBL9778573

SCHEMBL9778573

CC1(c2ccc(OC/C=C/c3ccccc3)cc2)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
KMT2A Q03164 3/20 0.45
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
PPARG P37231 2/20 0.44
RELA Q04206 1/20 0.42
CHRNA7 P36544 5/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 2/20 0.41
CHRNA10 Q9GZZ6 3/20 0.40
CHRNA9 Q9UGM1 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL9778578 1.00 MAOA (0.49) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778963 0.95 MAOA (0.44) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778960 0.95 MAOA (0.44) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778667 0.78 MAOA (0.46) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778671 0.78 MAOA (0.46) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778565 0.76 MAOA (0.44) MAOAMAOBKMT2APPARAPPARD
SCHEMBL9778568 0.76 MAOA (0.44) MAOAMAOBKMT2APPARAPPARD
SCHEMBL1158153 0.75 IDO1 (0.61) MAOAMAOBKMT2APPARAPPARD
SCHEMBL11426742 0.75 IDO1 (0.61) MAOAMAOBKMT2APPARAPPARD
SCHEMBL1158152 0.75 IDO1 (0.61) MAOAMAOBKMT2APPARAPPARD

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