SCHEMBL6132017

SCHEMBL6132017

c1ccc(OCCC2CCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
TAAR1 Q96RJ0 2/20 0.49
KCNA3 P22001 1/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR1A P08908 4/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
TEAD1 P28347 1/20 0.41
TEAD3 Q99594 1/20 0.41
PDK1 Q15118 1/20 0.41

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
SCHEMBL4290974 0.88 KCNA3 (0.53) TDP1TAAR1KCNA3HPGDHTT
SCHEMBL1133426 0.88 KCNA3 (0.53) TDP1TAAR1KCNA3HPGDHTT
SCHEMBL3619067 0.85 TDP1 (0.66) TDP1TAAR1KCNA3SMN1; SMN2ALDH1A1
SCHEMBL3250460 0.81 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1HRH3MEN1
SCHEMBL28659846 0.81 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1HRH3MEN1
Acrylic Acid SCHEMBL28738336 0.80 HPGD (0.57) TDP1HPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL17667236 0.78 TP53 (0.53) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31189818 0.77 KCNA3 (0.44) TDP1TAAR1KCNA3HPGDHTT
SCHEMBL4980425 0.76 TEAD1 (0.56) TAAR1KCNA3ALDH1A1RECQLTEAD1
SCHEMBL29118765 0.76 TAAR1 (0.44) TDP1TAAR1KCNA3HPGDHTT

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 5 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
EP-1516015-A1 LOW ACIDITY PHOSPHATE ESTERS Akzo Nobel N.V. (NL) 2005-03-23 EP disclosed
WO-2004000922-A1 LOW ACIDITY PHOSPHATE ESTERS AKZO NOBEL N.V. (NL) 2003-12-31 WO disclosed