SCHEMBL3248951

SCHEMBL3248951

O=C(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SRD5A2 P31213 2/20 0.59
CES1 P23141 2/20 0.50
STS P08842 1/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
RAB9A P51151 3/20 0.49
GAA P10253 1/20 0.49
PLAU P00749 2/20 0.47
S1PR5 Q9H228 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2471292 0.92 MAPT (0.56) MAPTL3MBTL1SRD5A2CES1STS
Water SCHEMBL9243001 0.87 MAPT (0.70) MAPTL3MBTL1SRD5A2CES1STS
Water SCHEMBL20527670 0.87 MAPT (0.70) MAPTL3MBTL1SRD5A2CES1STS
SCHEMBL24800 0.85 MAPT (0.73) MAPTL3MBTL1SRD5A2CES1STS
SCHEMBL7129800 0.85 MAPT (0.80) MAPTL3MBTL1SRD5A2CES1STS
SCHEMBL4282905 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2CES1STS
Bicarbonate SCHEMBL28984888 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2CES1STS
Hydrochloric Acid SCHEMBL27315608 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2CES1STS
Methyl Alcohol SCHEMBL11602292 0.81 MAPT (0.68) MAPTL3MBTL1SRD5A2CES1STS
Formaldehyde SCHEMBL27372987 0.81 MAPT (0.68) MAPTL3MBTL1SRD5A2CES1STS

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101180267-A Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV (RU) 2008-05-14 CN claimed
CN-104066735-A Substituted imidazopyrazines as AKT kinase inhibitors BAYER IP GMBH 2014-09-24 CN disclosed
CN-101600706-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-10-16 CN disclosed
CN-101374515-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-01-09 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
CN-101374515-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-02-25 CN disclosed
CN-101180267-A Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV (RU) 2008-05-14 CN disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6020426-A BLOCK OR GRAFT COPOLYMER FUJI XEROX CO., LTD. (JP) 2000-02-01 US disclosed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN disclosed
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed