SCHEMBL8064409

SCHEMBL8064409

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
MAOA P21397 5/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 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
SCHEMBL8065256 0.84 ALOX5 (0.46) MAOBMAOANPC1RAB9APOLB
SCHEMBL9620986 0.83 FOLH1 (0.46) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL7216359 0.82 NPC1 (0.56) MAOBMAOANPC1RAB9ARXRA
SCHEMBL4707088 0.80 MAOB (0.58) MAOBMAOANPC1RAB9ANR4A2
SCHEMBL9621234 0.80 TP53 (0.44) NPC1RAB9APOLBL3MBTL1MEN1
SCHEMBL225661 0.80 MAOB (0.51) MAOBMAOAHRH3ALOX5KDM1A
SCHEMBL11519620 0.80 HRH3 (0.55) MAOBMAOAHRH3ALOX5KDM1A
SCHEMBL30616511 0.80 MAOB (0.51) MAOBMAOAHRH3ALOX5KDM1A
SCHEMBL2443031 0.79 MAOA (0.48) MAOBMAOAHRH3ALOX5KDM1A
SCHEMBL9621184 0.79 S1PR1 (0.43) POLBNR4A2S1PR1S1PR3KDM4E

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 7 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
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed