SCHEMBL28037192

SCHEMBL28037192

CCCCC(CCC)c1ccccc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AOC3 Q16853 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR2A P28223 4/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 3/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2052039 0.98 POLB (0.45) POLBALDH1A1KDM4EAOC3SIGMAR1
SCHEMBL6682502 0.94 POLB (0.47) POLBALDH1A1KDM4EAOC3SIGMAR1
SCHEMBL5423814 0.92 SIGMAR1 (0.44) POLBAOC3SIGMAR1OPRM1OPRD1
SCHEMBL4873076 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL31175819 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL8509029 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4181323 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1
Fluoride SCHEMBL9717306 0.90 SIGMAR1 (0.43) POLBAOC3SIGMAR1OPRM1OPRD1
SCHEMBL21633720 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL1331317 0.90 NR1I2 (0.46) AOC3SIGMAR1OPRM1OPRD1OPRK1

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
CN-105633299-B Organic Light Emitting Diode, the manufacturing method of Organic Light Emitting Diode, image display device and lighting device 王子控股株式会社 2019-03-12 CN disclosed
CN-105340098-B Organic thin film solar cell and method for manufacturing organic thin film solar cell 王子控股株式会社 2018-06-12 CN disclosed
CN-103460797-B Organic light emitting diode, method for manufacturing the same, image display device, and lighting device OJI HOLDINGS CORP. (JP) 2016-03-02 CN disclosed
CN-105340098-A Organic thin film solar cell and method for manufacturing organic thin film solar cell OJI HOLDINGS CORP 2016-02-17 CN disclosed