SCHEMBL25476229

SCHEMBL25476229

COc1cc(C)ccc1C(=O)OCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL25476231 0.86 PTGS2 (0.40) GAAKMT2AHTTMAPTHSP90AA1
SCHEMBL19756094 0.85 KMT2A (0.46) GAAKMT2AHTTMAPTMEN1
SCHEMBL25476241 0.84 NPSR1 (0.43) GAAKMT2AHTTMAPTHSP90AA1
SCHEMBL25476239 0.84 ACHE (0.39) GAAKMT2AHTTMAPTHSP90AA1
SCHEMBL25476209 0.84 MEN1 (0.48) GAAKMT2AHTTMEN1LMNA
SCHEMBL25476179 0.83 SERPINE1 (0.51) GAAKMT2AMEN1LMNAIDO1
SCHEMBL25527965 0.83 KMT2A (0.43) GAAKMT2AHTTMAPTMEN1
SCHEMBL20267228 0.82 ALDH1A1 (0.53) GAAKMT2AHTTMAPTHSP90AA1
SCHEMBL25476245 0.82 KMT2A (0.46) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL25476191 0.82 NPC1 (0.46) KMT2AMAPTLMNASMN1; SMN2HPGD

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
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
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