SCHEMBL27571908

SCHEMBL27571908

CCCCCCCCOc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
CYSLTR2 Q9NS75 1/20 0.54
CYSLTR1 Q9Y271 1/20 0.54
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.48
S1PR3 Q99500 1/20 0.48
LMNA P02545 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ESR1 P03372 1/20 0.46
SMPD1 P17405 3/20 0.45
MGLL Q99685 1/20 0.45
PTPN11 Q06124 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
SCHEMBL7970564 0.99 CYP19A1 (0.54) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL28060807 0.95 ALDH1A1 (0.51) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL733055 0.91 CYP19A1 (0.53) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL2917087 0.87 CYP19A1 (0.46) CYP19A1CYSLTR2CYSLTR1ALDH1A1THRA
SCHEMBL28745869 0.87 S1PR3 (0.63) CYP19A1CYSLTR2CYSLTR1ALDH1A1S1PR3
SCHEMBL9039249 0.87 CYSLTR2 (0.56) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL27518496 0.86 MAPT (0.59) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL27545224 0.86 CYSLTR2 (0.55) CYP19A1CYSLTR2CYSLTR1ALDH1A1RAB9A
SCHEMBL9097438 0.86 MEN1 (0.50) ALDH1A1RAB9ALMNA
SCHEMBL7970263 0.86 S1PR3 (0.61) CYP19A1CYSLTR2CYSLTR1ALDH1A1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101693763-B Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and synthesis method thereof UNIV SICHUAN 2011-06-01 CN claimed
CN-101693763-A Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and symmetric method thereof UNIV SICHUAN 2010-04-14 CN claimed
CN-1274783-C Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2006-09-13 CN claimed
CN-1640983-A Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2005-07-20 CN claimed
CN-101693763-B Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and synthesis method thereof UNIV SICHUAN 2011-06-01 CN disclosed
CN-101693763-A Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and symmetric method thereof UNIV SICHUAN 2010-04-14 CN disclosed
CN-1274783-C Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2006-09-13 CN disclosed
CN-1640983-A Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2005-07-20 CN disclosed