SCHEMBL2586792

SCHEMBL2586792

C=COc1ccccc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
ADRA2A P08913 4/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HTR2C P28335 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA1A P35348 2/20 0.39
USP2 O75604 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL705519 0.82 PTGDR2 (0.50) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL2095933 0.79 PTGDR2 (0.54) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL776919 0.79 PTGDR2 (0.48) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL2399633 0.79 PTGDR2 (0.57) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL3089310 0.77 ADRA2A (0.50) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL3931077 0.76 HTR1D (0.50) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL9255529 0.76 PTGDR2 (0.55) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL10179984 0.76 PTGDR2 (0.48) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL2582813 0.76 PTGDR2 (0.55) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL4736528 0.76 HTR2C (0.68) PTGDR2HTR1DHTR1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765310-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI, LTD. (JP) 2014-07-01 US disclosed
CN-102237552-B Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI LTD 2014-05-28 CN disclosed
CN-102237552-A Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI LTD 2011-11-09 CN disclosed
US-20110269026-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME HITACHI, LTD. (JP) 2011-11-03 US disclosed