SCHEMBL29315619

SCHEMBL29315619

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
POLB P06746 2/20 0.38
BRD4 O60885 1/20 0.36
PTGS1 P23219 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
ALOX5 P09917 1/20 0.34
CA2 P00918 3/20 0.33
MEN1 O00255 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
SCHEMBL29315691 0.84 NPC1 (0.45) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315623 0.84 NPC1 (0.44) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315601 0.84 NPC1 (0.48) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315620 0.83 NPC1 (0.44) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315626 0.82 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315683 0.82 NPC1 (0.49) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315690 0.81 NPC1 (0.41) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315642 0.80 ALDH1A1 (0.43) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL29315598 0.80 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1TDP1
SCHEMBL31267561 0.79 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1TDP1

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