SCHEMBL17667240

SCHEMBL17667240

c1ccc(-c2ccccc2OCC2CCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
ADRB2 P07550 4/20 0.46
BRD4 O60885 1/20 0.46
HTR7 P34969 1/20 0.45
ADRA1A P35348 3/20 0.44
HTR1A P08908 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ADRA2C P18825 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ADRB1 P08588 1/20 0.43

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
SCHEMBL623648 0.86 ALDH1A1 (0.64) TP53MAPK1RAB9AALDH1A1GLA
SCHEMBL29422796 0.86 ALDH1A1 (0.64) TP53MAPK1RAB9AALDH1A1GLA
SCHEMBL8993129 0.86 ALDH1A1 (0.64) TP53MAPK1RAB9AALDH1A1GLA
Water SCHEMBL22325690 0.85 ALDH1A1 (0.62) TP53MAPK1RAB9AALDH1A1GLA
SCHEMBL17667236 0.84 TP53 (0.53) TP53MAPK1RAB9AALDH1A1ADRB2
SCHEMBL17422018 0.83 ALDH1A1 (0.60) TP53MAPK1RAB9AALDH1A1GLA
SCHEMBL30525943 0.81 ALDH1A1 (0.66) TP53MAPK1RAB9AALDH1A1GLA
SCHEMBL31255403 0.80 OXTR (0.47) ALDH1A1BRD4KDM4E
SCHEMBL13370771 0.79 TP53 (0.53) TP53MAPK1RAB9AADRB2HTR7
SCHEMBL29788194 0.79 TP53 (0.53) TP53MAPK1RAB9AADRB2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685597-B2 Curable composition for sealing optical semiconductor DAICEL CORPORATION (JP) 2017-06-20 US disclosed
US-20160126431-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR DAICEL CORPORATION (JP) 2016-05-05 US disclosed
EP-3006481-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR Daicel Corporation (JP) 2016-04-13 EP disclosed