SCHEMBL29315723

SCHEMBL29315723

C=CC(=O)OCCCOC(=O)Oc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.38
PDE6D O43924 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29315727 0.97 NPC1 (0.40) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL29315728 0.97 NPC1 (0.40) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL29315721 0.96 NPC1 (0.42) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL4188873 0.90 THRB (0.46) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL29315724 0.88 NPC1 (0.41) NPC1RAB9ALMNAIGF2BP2HPGD
SCHEMBL29315676 0.88 THRB (0.46) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL29315681 0.87 THRB (0.45) NPC1RAB9ALMNATHRBHPGD
SCHEMBL29315679 0.87 THRB (0.45) NPC1RAB9ALMNATHRBHPGD
SCHEMBL29315690 0.87 NPC1 (0.41) NPC1RAB9ALMNATHRBPDE6D
SCHEMBL299318 0.85 NPC1 (0.51) NPC1RAB9ALMNATHRBPDE6D

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed