SCHEMBL29315601

SCHEMBL29315601

CC(C)C(=O)OCCOc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL9061831 0.86 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4185113 0.84 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29315627 0.84 NPC1 (0.48) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29315619 0.84 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4189444 0.83 THRB (0.53) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29315598 0.82 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL10620345 0.81 LMNA (0.56) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29768249 0.81 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL9408814 0.81 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL11135110 0.80 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1KDM4E

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