SCHEMBL30921561

SCHEMBL30921561

CC(=O)Oc1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.56
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ GLS O94925 1/20 0.44
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL531085 0.84 ELANE (0.61) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL717987 0.84 NPC1 (0.65) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL156358 0.82 ELANE (0.51) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL8565931 0.81 NPC1 (0.61) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL8564239 0.81 NPC1 (0.61) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL8564694 0.79 NPC1 (0.60) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL28973261 0.79 ELANE (0.56) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL30217900 0.77 GAA (0.47) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL30217832 0.77 GAA (0.47) ELANEGAAALDH1A1MAPTHSP90AA1
SCHEMBL9241421 0.77 GAA (0.47) ELANEGAAALDH1A1MAPTHSP90AA1

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
WO-2024117367-A1 DUAL CURABLE CERAMIC SLURRY COMPOSITION FOR 3D PRINTING AND METHOD FOR MANUFACTURING DUAL CURABLE CERAMIC STRUCTURE USING SAME 창원대학교 산학협력단 2024-06-06 — — WO disclosed
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