SCHEMBL17667232

SCHEMBL17667232

C(OCC1CO1)C1CO1.OCCOc1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
GLA P06280 1/20 0.39
MGLL Q99685 4/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL17667233 0.90 TDP1 (0.46) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL14352862 0.85 TDP1 (0.58) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL4254195 0.81 ALDH1A1 (0.56) TDP1ALDH1A1TP53SMN1; SMN2RECQL
2-Phenylphenol SCHEMBL811951 0.79 ALDH1A1 (0.55) TDP1ALDH1A1GLAMGLL
Fluorene SCHEMBL27795597 0.79 TDP1 (0.51) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL3854583 0.78 TDP1 (0.50) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL3854585 0.78 TDP1 (0.42) TDP1ALDH1A1TP53CYP3A4TSHR
Biphenyl SCHEMBL23045578 0.78 TDP1 (0.59) TDP1ALDH1A1TP53CYP3A4TSHR
Biphenyl SCHEMBL93293 0.78 TDP1 (0.59) TDP1ALDH1A1TP53CYP3A4TSHR
Biphenyl SCHEMBL27996658 0.78 TDP1 (0.59) TDP1ALDH1A1TP53CYP3A4TSHR

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