SCHEMBL31282263

SCHEMBL31282263

O=C(O)CCCCCOc1cc(O)cc2oc(=O)cc(-c3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ MAP1LC3B Q9GZQ8 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ XDH P47989 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HSD17B3 P37058 1/20 0.45

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 0.88 MAP1LC3B (0.57) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL30109506 0.88 MAP1LC3B (0.57) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL31282322 0.85 MAP1LC3B (0.59) ALDH1A1MAP1LC3BMAPK1XDHALOX15
SCHEMBL23964527 0.80 MAP1LC3B (0.56) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL23964460 0.79 MAP1LC3B (0.54) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL23964326 0.77 MAP1LC3B (0.44) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL23964474 0.76 MAP1LC3B (0.51) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL31466697 0.76 MAPT (0.46) ALDH1A1MAP1LC3BMAPTSMN1; SMN2HSD17B10
SCHEMBL19236007 0.76 XDH (0.72) ALDH1A1MAPTSMN1; SMN2HSD17B10MAPK1
SCHEMBL5327950 0.75 ALDH1A1 (0.85) ALDH1A1MAPTSMN1; SMN2HSD17B10MAPK1

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-119371389-B Small molecular compound for specific targeted lipid drop imaging and degradation and preparation method and application thereof 四川大学华西医院 2025-03-18 — — CN disclosed
CN-119371389-A Small molecular compound for specific targeted lipid drop imaging and degradation and preparation method and application thereof 四川大学华西医院 2025-01-28 — — CN disclosed
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