SCHEMBL17667233

SCHEMBL17667233

c1ccc(-c2cccc(-c3ccccc3)c2OCCOCC2CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
GLA P06280 1/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 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
SCHEMBL17667232 0.90 TDP1 (0.45) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL14352862 0.86 TDP1 (0.58) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL14899287 0.79 TDP1 (0.50) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL28371423 0.79 TDP1 (0.57) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL28598526 0.78 TSHR (0.51) TDP1ALDH1A1TSHRTP53ADRB2
SCHEMBL7933696 0.78 TDP1 (0.70) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL394007 0.78 ALDH1A1 (0.55) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL3854583 0.77 TDP1 (0.50) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL2882808 0.76 TDP1 (0.68) TDP1ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL8198198 0.76 TDP1 (0.68) TDP1ALDH1A1TSHRSMN1; SMN2TP53

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