SCHEMBL5031606

SCHEMBL5031606

Cn1c(=O)n(CCCCC(N)C(=O)OC(C)(C)C)c(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
HDAC1 Q13547 2/20 0.50
CNR2 P34972 6/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
CNR1 P21554 1/20 0.40
SLC9A1 P19634 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
AGER Q15109 1/20 0.38

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
SCHEMBL5036963 0.97 TNF (0.56) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL7428949 0.84 TNF (0.56) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL7430629 0.82 TNF (0.54) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL5034642 0.81 AAK1 (0.53) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL5036942 0.81 TNF (0.53) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL5033744 0.77 MMP2 (0.46) TNFHDAC1ALDH1A1KDM4EHTT
SCHEMBL5033746 0.77 MMP2 (0.46) TNFHDAC1ALDH1A1KDM4EHTT
SCHEMBL2860549 0.76 TNF (0.55) TNFHDAC1CNR2ALDH1A1TSHR
SCHEMBL27767304 0.73 APEX1 (0.47) CNR2ALDH1A1KDM4E
SCHEMBL5036965 0.72 TNF (0.47) TNFHDAC1CNR2ALDH1A1TSHR

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-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed