SCHEMBL8808076

SCHEMBL8808076

[CH2][C@H]1C[C@H](SCc2ccc(OC)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.43
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DAO P14920 1/20 0.38
DDB1 Q16531 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 2/20 0.37
LMNA P02545 1/20 0.37
MMP13 P45452 1/20 0.37
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8808078 0.85 CRBN (0.44) CRBNMMP1MMP9MAOAMAOB
SCHEMBL9197046 0.81 MMP1 (0.43) CRBNMMP1MMP9DAOALDH1A1
SCHEMBL9201296 0.78 CRBN (0.41) CRBNMMP1MMP9DAOALDH1A1
SCHEMBL9196923 0.78 CRBN (0.41) CRBNMMP1MMP9DAOALDH1A1
SCHEMBL8810304 0.75 CRBN (0.37) CRBNMMP1DAOALDH1A1TSHR
SCHEMBL9369558 0.75 CRBN (0.48) CRBNMMP1MMP9MAOAMAOB
SCHEMBL9199499 0.74 FABP7 (0.47) MMP1MMP9TSHRMMP13MEN1
SCHEMBL8441916 0.73 CRBN (0.48) CRBNMMP1MMP9MAOAMAOB
SCHEMBL8441175 0.70 MAOA (0.45) CRBNMMP1MMP9MAOAMAOB
SCHEMBL9195547 0.69 IDO1 (0.43) CRBNMMP1DAOALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557122-B1 A production method for sulfamide SHIONOGI & CO (JP) 1997-01-15 EP disclosed
US-5539102-A ANTIBIOTIC SYNTHESIS BY DEHYDRATION REACTION OF ALCOHOL WITH OXYCARBONYLSULFAMIDE IN THE PRESENCE OF TRIVALENT PHOSPHOROUS SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1996-07-23 US disclosed
EP-0557122-A1 A production method for sulfamide SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-08-25 EP disclosed