SCHEMBL9626304

SCHEMBL9626304

CCCC(=O)O[C@@H](CC)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ STAT3 P40763 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL9626295 1.00 POLB (0.39) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL16791668 0.92 KMT2A (0.40) POLBMAPK1STAT3ALDH1A1KMT2A
SCHEMBL9772016 0.90 POLB (0.38) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9772004 0.90 POLB (0.38) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9772012 0.90 POLB (0.38) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9626924 0.88 PLA2G2C (0.40) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9626931 0.88 PLA2G2C (0.40) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9625708 0.87 PLA2G2C (0.42) MAPK1ALDH1A1KMT2ALMNA
SCHEMBL9625700 0.87 PLA2G2C (0.42) MAPK1ALDH1A1KMT2ALMNA
SCHEMBL9625698 0.85 POLB (0.42) POLBMAPK1STAT3ALDH1A1HTT

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
EP-0197484-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE GLYCOL DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-05 — — EP disclosed
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