SCHEMBL9778692

SCHEMBL9778692

CCC1(c2ccc(OC/C=C/c3ccccc3)cc2)SCCS1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 2/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
MTOR P42345 1/20 0.39
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9778694 1.00 PPARA (0.45) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778826 0.95 PPARA (0.43) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778834 0.95 PPARA (0.43) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778671 0.84 MAOA (0.46) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778667 0.84 MAOA (0.46) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778568 0.80 MAOA (0.44) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778565 0.80 MAOA (0.44) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778578 0.74 MAOA (0.49) PPARAPPARGPPARDMAOAMAOB
SCHEMBL9778573 0.74 MAOA (0.49) PPARAPPARGPPARDMAOAMAOB
SCHEMBL1158153 0.73 IDO1 (0.61) PPARAPPARGPPARDMAOAMAOB

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