SCHEMBL9697407

SCHEMBL9697407

COC(=O)CCCCCCN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.72
HDAC2 Q92769 3/20 0.72
CA9 Q16790 6/20 0.64
CA12 O43570 5/20 0.64
ALDH1A1 P00352 1/20 0.57
ACHE P22303 2/20 0.57
KMT2A Q03164 1/20 0.56
TPSAB1 Q15661 1/20 0.56
TPSD1 Q9BZJ3 1/20 0.56
TPSG1 Q9NRR2 1/20 0.56
CA2 P00918 3/20 0.55
HTR1A P08908 3/20 0.54
DRD2 P14416 3/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ELANE P08246 1/20 0.54

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
SCHEMBL9697341 1.00 HDAC1 (0.72) HDAC1HDAC2CA9CA12ALDH1A1
SCHEMBL9695737 0.95 CA9 (0.64) HDAC1HDAC2CA9CA12ALDH1A1
SCHEMBL9696770 0.90 ALDH1A1 (0.65) HDAC1HDAC2CA9CA12ALDH1A1
SCHEMBL9696765 0.89 HDAC1 (0.70) HDAC1HDAC2CA9CA12ACHE
SCHEMBL9697335 0.89 HDAC1 (0.70) HDAC1HDAC2CA9CA12ACHE
SCHEMBL4025828 0.88 CA9 (0.70) HDAC1HDAC2CA9CA12ACHE
SCHEMBL4027171 0.88 CA9 (0.70) HDAC1HDAC2CA9CA12ACHE
SCHEMBL3941396 0.84 HDAC1 (0.74) HDAC1HDAC2CA9CA12ACHE
SCHEMBL3945930 0.84 HDAC1 (0.74) HDAC1HDAC2CA9CA12ACHE
SCHEMBL3942558 0.84 HDAC1 (1.00) HDAC1HDAC2CA9CA12KMT2A

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-0485927-A1 Sulfimidoperoxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed