SCHEMBL29315623

SCHEMBL29315623

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 3/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
HDAC3 O15379 3/20 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
SCHEMBL29315626 0.92 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315620 0.91 NPC1 (0.44) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315691 0.89 NPC1 (0.45) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315612 0.89 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315690 0.85 NPC1 (0.41) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315615 0.84 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315619 0.84 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315635 0.81 HDAC6 (0.47) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL29315646 0.81 NPC1 (0.41) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29315607 0.81 TDP1 (0.50) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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