SCHEMBL8065256

SCHEMBL8065256

CCCOC(=O)C1=Cc2ccc(OCc3ccccc3)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MAOB P27338 6/20 0.44
MAOA P21397 4/20 0.44
HRH3 Q9Y5N1 2/20 0.44
GHSR Q92847 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8064409 0.84 MAOB (0.51) ALOX5MAOBMAOAHRH3S1PR1
SCHEMBL8069956 0.79 PSEN1 (0.40) ALOX5MAOBMAOAHRH3S1PR1
SCHEMBL9621234 0.75 TP53 (0.44) S1PR1S1PR3L3MBTL1ALDH1A1TSHR
SCHEMBL8053902 0.75 S1PR1 (0.38) ALOX5MAOBMAOAS1PR1S1PR3
SCHEMBL11519620 0.75 HRH3 (0.55) ALOX5MAOBMAOAHRH3SRD5A1
SCHEMBL3452161 0.74 MAOB (0.52) ALOX5MAOBMAOAPPARGL3MBTL1
SCHEMBL9158096 0.73 HRH3 (0.50) ALOX5MAOBMAOAHRH3SRD5A1
SCHEMBL225661 0.72 MAOB (0.51) ALOX5MAOBMAOAHRH3
SCHEMBL30616511 0.72 MAOB (0.51) ALOX5MAOBMAOAHRH3
SCHEMBL2443031 0.72 MAOA (0.48) ALOX5MAOBMAOAHRH3LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826659-B1 POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL MITSUI CHEMICALS INC (JP) 2000-06-14 EP disclosed
US-6019911-A CAPABLE OF BEING IN A SMECTIC PHASE IN A WIDE TEMPERATURE RANGE INCLUDING ROOM TEMPERATURE; CAN BE USED AS A FERROELECTRIC LIQUID CRYSTAL MATERIAL OR AN ANTIFERROELECTRIC LIQUID MITSUI CHEMICALS, INC. (JP) 2000-02-01 US disclosed
EP-0826659-A1 POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed