SCHEMBL29315612

SCHEMBL29315612

CC(=O)C(=O)OCCCCCCOc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 12/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 2/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL29315607 0.91 TDP1 (0.50) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL29315604 0.90 TDP1 (0.48) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL29315623 0.89 NPC1 (0.44) NPC1RAB9ALMNATDP1POLB
SCHEMBL4188814 0.88 TDP1 (0.46) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL9417139 0.86 NPC1 (0.45) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL29315635 0.86 HDAC6 (0.47) NPC1RAB9ALMNATDP1ALDH1A1
SCHEMBL4185113 0.84 NPC1 (0.46) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL831880 0.83 NPC1 (0.52) NPC1RAB9ALMNAKDM4E
SCHEMBL29315679 0.83 THRB (0.45) NPC1RAB9ALMNAMAOBTDP1
SCHEMBL29315681 0.83 THRB (0.45) NPC1RAB9ALMNAMAOBTDP1

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