SCHEMBL6681604

SCHEMBL6681604

COCC(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.68
MAPT P10636 7/20 0.65
HSD17B10 Q99714 4/20 0.65
HPGD P15428 4/20 0.65
HIF1A Q16665 3/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
BLM P54132 3/20 0.65
ALDH1A1 P00352 3/20 0.65
PTGS1 P23219 1/20 0.65
TRPV1 Q8NER1 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
GAA P10253 1/20 0.56
ALOX12 P18054 2/20 0.55
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 2/20 0.54

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
SCHEMBL13875160 0.88 MAPT (0.57) SPRMAPTHSD17B10HPGDHIF1A
SCHEMBL15723334 0.85 MAPT (0.65) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL21370941 0.85 MAPT (0.61) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL24754599 0.84 MAPT (0.60) SPRMAPTHSD17B10HPGDHIF1A
SCHEMBL21388223 0.84 MAPT (0.59) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL17205984 0.83 MAPT (0.71) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL140079 0.82 ERCC1 (0.59) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL109158 0.82 MAPT (0.73) MAPTHSD17B10HPGDHIF1AKDM4E
SCHEMBL13799162 0.82 MAPT (0.57) SPRMAPTHSD17B10HPGDHIF1A
SCHEMBL109104 0.81 MAPT (0.68) MAPTHSD17B10HPGDHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019175332-A1 BH4 PATHWAY INHIBITION AND USE THEREOF FOR TREATING T-CELL MEDIATED AUTOIMMUNE DISEASES OR HYPERSENSITIVITY IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2019-09-19 WO claimed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP claimed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP disclosed
US-6153615-A Blocking induction of tetrahydrobioterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 2000-11-28 US disclosed
US-5880124-A Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-03-09 US disclosed
US-5877176-A Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-03-02 US disclosed