SCHEMBL19330830

SCHEMBL19330830

COc1cc(=O)n(C)c2ccc(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
WEE1 P30291 1/20 0.46
CYP19A1 P11511 4/20 0.43
NQO2 P16083 4/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
RET P07949 2/20 0.41
ALOX5 P09917 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL30783436 0.78 KCNA3 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL11379787 0.78 KCNA3 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL11098624 0.78 KDM4E (0.61) MAPTSMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL6504952 0.75 WEE1 (0.41) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6505681 0.73 NTRK1 (0.43) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL11808516 0.72 BCHE (0.67) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6208739 0.71 MAPT (0.56) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12080952 0.69 PIK3CG (0.57) ALDH1A1WEE1BCHEACHEALOX5
SCHEMBL11378094 0.68 KCNA3 (0.56) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL11263413 0.68 CHEK1 (0.44) MAPTSMN1; SMN2KDM4EALDH1A1GLA

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
EP-3389649-B1 FURANOCOUMARINS FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES LEEWARD PACIFIC PTE LTD (SG) 2020-10-21 EP disclosed
EP-3389649-A1 COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES Leeward Pacific Pte Ltd (SG) 2018-10-24 EP disclosed
WO-2017155465-A1 COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES LEEWARD PACIFIC PTE LTD (SG) 2017-09-14 WO disclosed