SCHEMBL8428264

SCHEMBL8428264

O=S(=O)([C]1CCN(CC2CC2)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
KDM2B Q8NHM5 6/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CYP2D6 P10635 1/20 0.47
HRH1 P35367 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
KMT2A Q03164 1/20 0.42
SOS1 Q07889 1/20 0.41

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
SCHEMBL8428266 0.81 HTR2A (0.53) MMP2MMP9KDM2BSMN1; SMN2LMNA
SCHEMBL4922206 0.77 HRH3 (0.70) MMP2MMP9KDM2BHRH3CYP2D6
SCHEMBL5919626 0.74 MMP9 (0.67) MMP2MMP9MMP1MMP3MMP7
Hydrochloric Acid SCHEMBL6537429 0.73 MMP9 (0.66) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7310514 0.72 MMP1 (0.49) MMP2MMP9KDM2BSMN1; SMN2LMNA
SCHEMBL12020262 0.71 MMP2 (0.69) MMP2MMP9HTTLMNAMMP1
SCHEMBL8428232 0.70 MMP9 (0.45) MMP2MMP9KDM2BSMN1; SMN2LMNA
SCHEMBL7299271 0.70 MMP1 (0.66) MMP2MMP9KDM2BMMP1MMP3
SCHEMBL6123058 0.70 HTT (0.81) MMP2MMP9SMN1; SMN2HTTLMNA
SCHEMBL146566 0.70 HTT (0.81) MMP2MMP9SMN1; SMN2HTTLMNA

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed