SCHEMBL5507798

SCHEMBL5507798

CCCCCC#C[C](O)CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.45
DRD2 P14416 1/20 0.45
USP5 P45974 1/20 0.43
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.39
ACLY P53396 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 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
SCHEMBL5510215 0.84 DRD2 (0.52) MMP3DRD2USP5CHRM2CHRM1
SCHEMBL5500882 0.84 LMNA (0.46) DRD2ALDH1A1THRBMAPTSMN1; SMN2
SCHEMBL5510208 0.81 DRD2 (0.46) MMP3DRD2USP5CHRM2CHRM1
SCHEMBL2156142 0.79 DRD2 (0.42) MMP3DRD2USP5CHRM2CHRM1
SCHEMBL27693729 0.78 DRD2 (0.41) MMP3DRD2USP5CHRM2CHRM1
SCHEMBL5506031 0.77 THRB (0.46) DRD2ALDH1A1THRBMAPTSMN1; SMN2
SCHEMBL2155714 0.77 MMP3 (0.43) MMP3DRD2USP5CHRM2CHRM1
SCHEMBL2155404 0.77 DRD2 (0.46) DRD2USP5CHRM2CHRM1ACLY
SCHEMBL2155400 0.77 DRD2 (0.46) DRD2USP5CHRM2CHRM1ACLY
SCHEMBL2155707 0.76 DRD2 (0.39) MMP3DRD2USP5CHRM2CHRM1

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-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP claimed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO claimed