SCHEMBL17422018

SCHEMBL17422018

c1ccc(-c2ccc(-c3ccccc3OCC3CO3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
MGLL Q99685 4/20 0.46
PTPN1 P18031 1/20 0.45
ADRB2 P07550 2/20 0.45
HTR7 P34969 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29422796 0.97 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL623648 0.97 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL8993129 0.97 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53MAPK1
Water SCHEMBL22325690 0.95 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL30525943 0.95 ALDH1A1 (0.66) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL9505451 0.89 ALDH1A1 (0.55) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL27849730 0.89 TDP1 (0.51) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL31472724 0.89 TDP1 (0.64) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL27849735 0.88 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53MAPK1
SCHEMBL2712808 0.88 ALDH1A1 (0.70) ALDH1A1GLATDP1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016104136-A1 EPOXY RESIN COMPOSITION FOR ELECTRONIC MATERIAL, CURED OBJECT OBTAINED THEREFROM, AND ELECTRONIC MEMBER DIC株式会社 2016-06-30 WO disclosed
WO-2016006649-A1 EPOXY RESIN, METHOD FOR PRODUCING SAME, EPOXY RESIN COMPOSITION, AND CURED PRODUCT THEREOF DIC株式会社 2016-01-14 WO disclosed