SCHEMBL28048765

SCHEMBL28048765

O=c1c(-c2ccccc2)coc2cc(OC(O)O)ccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
MAPT P10636 6/20 0.77
SMN1; SMN2 Q16637 6/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
POLB P06746 2/20 0.77
MAPK1 P28482 2/20 0.77
GAA P10253 2/20 0.77
HDAC6 Q9UBN7 2/20 0.77
PTGS1 P23219 1/20 0.77
SLC6A2 P23975 1/20 0.77
STAT1 P42224 1/20 0.77
CASP3 P42574 1/20 0.77
HTT P42858 1/20 0.77
HIF1A Q16665 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77

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
SCHEMBL27974961 0.90 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Ipriflavone SCHEMBL111472 0.87 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Ipriflavone SCHEMBL29485035 0.87 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8635594 0.86 ALDH2 (0.83) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5319165 0.84 MIF (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27486577 0.83 MAPT (0.71) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2070406 0.83 NPC1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28429116 0.83 MIF (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11557001 0.83 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL762092 0.82 MAPT (1.00) ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961213-B A kind of remove the water treatment agent of organochlorine pesticide in water 章俊 2016-10-05 CN disclosed
CN-103478843-B A kind of alcohol-decomposing beverage and preparation method thereof CAI QIANG (CN) 2016-01-20 CN disclosed