SCHEMBL8632882

SCHEMBL8632882

C=COc1c(C(N)=O)cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
MMP14 P50281 3/20 0.39
MMP16 P51512 3/20 0.39
MMP3 P08254 2/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
IKBKB O14920 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
SCHEMBL364480 0.77 HTR6 (0.55) HTR6HTR2AHTR2CMMP2MMP9
SCHEMBL589633 0.75 HTR6 (0.53) HTR6HTR2AHTR2CMMP2MMP9
SCHEMBL8632877 0.73 KDM4E (0.44) HTR6HTR2AHTR2CTSHRHTT
SCHEMBL8637433 0.73 HTR6 (0.44) HTR6HTR2AHTR2CMMP2MMP9
SCHEMBL589337 0.69 KMT2A (0.53) HTR6HTR2AHTR2CMMP2MMP9
SCHEMBL9252128 0.69 HTR6 (0.42) HTR6HTR2AHTR2CMMP2MMP9
SCHEMBL9252114 0.69 MMP2 (0.52) HTR6MMP2MMP9MMP8MMP12
SCHEMBL28191444 0.68 KDM4E (0.58) TSHRHTTKDM4EALDH1A1GAA
SCHEMBL10589344 0.67 HTR6 (0.55) HTR6MMP2MMP9MMP8MMP12
SCHEMBL27492085 0.67 HTR6 (0.54) HTR6HTR2AHTR2CMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP claimed
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP disclosed