SCHEMBL30109506

SCHEMBL30109506

O=c1cc(-c2ccccc2)c2c(OCCCCCCCCCCBr)cc(O)cc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.57
▸ ALDH1A1 P00352 11/20 0.53
▸ MAPT P10636 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ ALDH2 P05091 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HSD17B3 P37058 1/20 0.46
▸ SORD Q00796 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL23930263 1.00 MAP1LC3B (0.57) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL31282263 0.88 ALDH1A1 (0.56) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL23964527 0.81 MAP1LC3B (0.56) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL23964460 0.80 MAP1LC3B (0.54) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL23964326 0.78 MAP1LC3B (0.44) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL23964474 0.77 MAP1LC3B (0.51) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL31466697 0.75 MAPT (0.46) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL26172949 0.74 ALDH1A1 (0.44) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL30109387 0.74 ALDH1A1 (0.44) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL3787335 0.74 MAP1LC3B (1.00) MAP1LC3BALDH1A1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427396-A Compounds for preventing or treating lipid metabolism-related diseases 复旦大学 2022-12-02 — — CN disclosed
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