SCHEMBL29315620

SCHEMBL29315620

C=C(C)C(=O)OCCCCC(=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
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.34
CA2 P00918 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 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
SCHEMBL29315626 0.99 NPC1 (0.43) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315615 0.93 NPC1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315623 0.91 NPC1 (0.44) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315604 0.89 TDP1 (0.48) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315607 0.88 TDP1 (0.50) NPC1RAB9ALMNATDP1POLB
SCHEMBL4188814 0.87 TDP1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315691 0.86 NPC1 (0.45) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315690 0.84 NPC1 (0.41) NPC1RAB9ALMNATDP1POLB
SCHEMBL4185113 0.83 NPC1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL93326 0.83 NPC1 (0.52) NPC1RAB9ALMNATDP1POLB

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