SCHEMBL2650035

SCHEMBL2650035

COc1cccc2c(C(C)C)cc(OCc3ccccc3)c(C=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.45
ERN1 O75460 2/20 0.43
HTR1A P08908 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL751846 0.76 MAPT (0.57) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2650033 0.72 NPC1 (0.48) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL21957648 0.72 HDAC8 (0.54) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8854984 0.72 KMT2A (0.43) ERN1BCHEGLRA1
SCHEMBL5239013 0.72 LOXL2 (0.47) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL25146420 0.71 MAPK1 (0.53) MAPTL3MBTL1SMN1; SMN2RAB9AHTR1A
SCHEMBL3923636 0.71 MAPT (0.66) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL17833748 0.70 HPGD (0.50) MAPTSMN1; SMN2NPC1RAB9ACTSV
SCHEMBL28503954 0.70 PDE4A (0.48) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL17833744 0.70 CHRNA7 (0.47) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed