SCHEMBL27848652

SCHEMBL27848652

O=Cc1ccc(F)cc1C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
F2RL1 P55085 2/20 0.40
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.36
OPRL1 P41146 1/20 0.35
HCRTR1 O43613 1/20 0.34
KDM1A O60341 2/20 0.34
KMT2A Q03164 1/20 0.34
KDM1B Q8NB78 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL2308314 0.94 PTGDR2 (0.38) PTGDR2F2RL1NOS3NOS1NOS2
SCHEMBL19750760 0.84 F2RL1 (0.42) PTGDR2F2RL1NOS3NOS1NOS2
SCHEMBL276030 0.82 PTGDR2 (0.48) PTGDR2NOS3NOS1NOS2ALDH1A1
SCHEMBL23584310 0.80 PTGDR2 (0.42) PTGDR2F2RL1NOS3NOS1NOS2
SCHEMBL24117075 0.79 PTGDR2 (0.38) PTGDR2NOS3NOS1NOS2CHRNB2
SCHEMBL21116526 0.78 ESR2 (0.39) CHRNB2CHRNA4ALDH1A1
SCHEMBL20183968 0.76 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL11153829 0.76 TDP1 (0.50) PTGDR2NOS3NOS1NOS2CHRNB2
SCHEMBL7469701 0.76 MAPT (0.41) CHRNB2CHRNA4KDM4EALDH1A1KMT2A
SCHEMBL28247579 0.76 KDM1A (0.52) PTGDR2F2RL1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102376451-B Electrolyte solution for electric double layer capacitor, the double electric layer capacitor using this electrolyte and manufacture method thereof SEIKO INSTRUMENTS INC. (JP) 2016-03-02 CN disclosed
CN-102376451-A Electrolytic solution for electric double layer capacitor, electric double layer capacitor using the same, and manufacturing method therefor SEIKO INSTR INC 2012-03-14 CN disclosed