SCHEMBL29315690

SCHEMBL29315690

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
IGF2BP2 Q9Y6M1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 1/20 0.33

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 0.90 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315728 0.90 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315681 0.89 THRB (0.45) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315679 0.89 THRB (0.45) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315676 0.88 THRB (0.46) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315723 0.87 NPC1 (0.41) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315691 0.86 NPC1 (0.45) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL4188873 0.86 THRB (0.46) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315626 0.85 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1TSHR
SCHEMBL29315623 0.85 NPC1 (0.44) NPC1RAB9ALMNAALDH1A1HPGD

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