SCHEMBL17138365

SCHEMBL17138365

NCCc1cc(O)c(O)c(O)c1.NCCc1cc(O)c(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.62
TAAR1 Q96RJ0 5/20 0.62
KDM4E B2RXH2 4/20 0.62
RECQL P46063 4/20 0.62
MAPK1 P28482 4/20 0.62
ADRA2A P08913 3/20 0.62
SLC6A2 P23975 3/20 0.62
DRD2 P14416 3/20 0.62
DRD1 P21728 3/20 0.62
MAPT P10636 3/20 0.62
APEX1 P27695 3/20 0.62
DRD4 P21917 2/20 0.62
DRD5 P21918 2/20 0.62
DRD3 P35462 2/20 0.62
SLC6A3 Q01959 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HTR1A P08908 2/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TP53 P04637 1/20 0.62

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
SCHEMBL328576 1.00 TDP1 (0.62) TDP1TAAR1KDM4ERECQLMAPK1
Hydrochloric Acid SCHEMBL3757551 0.97 TDP1 (0.64) TDP1TAAR1KDM4ERECQLMAPK1
Water SCHEMBL17686500 0.97 TDP1 (0.60) TDP1TAAR1KDM4ERECQLMAPK1
Hydrochloric Acid SCHEMBL29134173 0.95 TDP1 (0.58) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL69532 0.85 TDP1 (0.54) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL20849682 0.84 MAPK1 (0.46) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL28735818 0.84 TAAR1 (0.52) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL29705208 0.84 TAAR1 (0.52) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL10634508 0.84 MAPK1 (0.52) TDP1TAAR1KDM4ERECQLMAPK1
SCHEMBL5495349 0.84 TAAR1 (0.52) TDP1TAAR1KDM4ERECQLMAPK1

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
US-20150284517-A1 POLYMER LIGANDS FOR NANOPARTICLES NATIONAL SCIENCE FOUNDATION 2015-10-08 US claimed
US-20150284517-A1 POLYMER LIGANDS FOR NANOPARTICLES NATIONAL SCIENCE FOUNDATION 2015-10-08 US disclosed