SCHEMBL27552135

SCHEMBL27552135

O=C(O)C1CCCCN1S(=O)(=O)CC=CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.47
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL26130649 0.81 FKBP1A (0.66) FKBP1A
SCHEMBL5966234 0.81 FKBP1A (0.66) FKBP1A
SCHEMBL26127986 0.81 FKBP1A (0.66) FKBP1A
SCHEMBL27733114 0.80 MMP8 (0.48) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL4797076 0.77 FKBP1A (0.65) FKBP1AMMP8MMP12MMP13MMP1
Hydrogen Sulfide SCHEMBL27525414 0.76 FKBP1A (0.64) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL27729683 0.74 ALDH1A1 (0.39) FKBP1AMMP8MMP12MMP13HTT
SCHEMBL5902115 0.73 FKBP1A (0.56) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL7247534 0.73 FKBP1A (0.56) FKBP1AMMP8MMP12MMP13MMP1
Hydroxyamine SCHEMBL5894541 0.72 FKBP1A (0.52) FKBP1AMMP8MMP12MMP13MMP1

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
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed