SCHEMBL6538693

SCHEMBL6538693

Nc1cc(-c2ccc(OCc3ccco3)c(N)c2)ccc1OCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 5/20 0.39
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MGMT P16455 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
MGLL Q99685 1/20 0.35
TNFRSF1A P19438 1/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL6538671 0.87 GAA (0.53) GAAPOLBMAPTTP53ALDH1A1
SCHEMBL23456206 0.81 GAA (0.57) GAAPOLBMAPTALDH1A1SLC1A3
SCHEMBL6538679 0.79 GAA (0.44) GAAPOLBMAPTALDH1A1SLC1A3
SCHEMBL8308770 0.75 GAA (0.58) GAAPOLBMAPTTP53ALDH1A1
SCHEMBL6538245 0.72 GAA (0.47) GAAPOLBMAPTALDH1A1MGMT
SCHEMBL3793244 0.70 MRGPRX4 (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8816431 0.69 GAA (1.00) GAAMAPTALDH1A1SLC1A3SLC1A2
SCHEMBL5692901 0.69 ALDH1A1 (0.47) GAAPOLBMAPTTP53ALDH1A1
SCHEMBL1012973 0.69 GAA (0.68) GAAPOLBMAPTTP53ALDH1A1
Hydrochloric Acid SCHEMBL6212891 0.69 CCR5 (0.47) GAAMAPTTP53KDM4EMEN1

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-6709804-B2 Printed wiring board and semiconductor device and processes to prepare the same RIKEN (JP) 2004-03-23 US disclosed
US-20030194621-A1 Polyamic acid or a polyimide which has substituents having a cis-diene structure at the side chains, e.g., cyclopentadiene-, furan- or thiophene-groups RIKEN (JP) 2003-10-16 US disclosed
US-6528231-B1 Photosensitive resin composition can form a resin layer having excellent heat resistance RIKEN (JP) 2003-03-04 US disclosed