SCHEMBL4858181

SCHEMBL4858181

O=C(NCCCCc1ccccc1)C(Cc1cc[c]cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
NPY5R Q15761 1/20 0.51
MMP9 P14780 5/20 0.50
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MAPT P10636 1/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
AVPR1A P37288 1/20 0.45

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
SCHEMBL4858174 1.00 MMP2 (0.56) MMP2ADAMTS5NPY5RMMP9ALDH1A1
SCHEMBL4857259 0.90 NPY5R (0.62) MMP2NPY5RMMP9ALDH1A1ADAMTS4
SCHEMBL4857262 0.90 NPY5R (0.62) MMP2NPY5RMMP9ALDH1A1ADAMTS4
SCHEMBL4864009 0.88 BMP1 (0.56) MMP2NPY5RMMP9ALDH1A1BMP1
SCHEMBL4864003 0.88 BMP1 (0.56) MMP2NPY5RMMP9ALDH1A1BMP1
SCHEMBL4864934 0.85 MMP2 (0.49) MMP2ADAMTS5NPY5RMMP9ALDH1A1
SCHEMBL4864939 0.85 MMP2 (0.49) MMP2ADAMTS5NPY5RMMP9ALDH1A1
SCHEMBL4861466 0.84 NPY5R (0.47) MMP2NPY5RMMP9
SCHEMBL4861471 0.84 NPY5R (0.47) MMP2NPY5RMMP9
SCHEMBL3740541 0.83 MMP2 (0.50) MMP2ADAMTS5NPY5RMMP9ALDH1A1

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
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed