SCHEMBL12020156

SCHEMBL12020156

CC(C)CCCC(C)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PLCG1 P19174 1/20 0.41
▸ CA2 P00918 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MMP1 P03956 5/20 0.38
▸ MMP9 P14780 5/20 0.38
▸ MMP13 P45452 5/20 0.38
▸ MMP3 P08254 4/20 0.38
▸ MMP7 P09237 4/20 0.38
▸ MCL1 Q07820 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA9 Q16790 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL11763255 0.84 G6PD (0.44) CA12CA2KMT2AMEN1ALDH1A1
SCHEMBL14537429 0.82 MMP2 (0.44) MMP2CA12CA14PLCG1CA2
SCHEMBL12463013 0.80 MMP2 (0.47) MMP2CA12CA14PLCG1CA2
SCHEMBL13813079 0.78 MMP2 (0.47) MMP2CA12CA14PLCG1CA2
SCHEMBL12674211 0.78 MMP2 (0.47) MMP2CA12CA14PLCG1CA2
SCHEMBL13917416 0.77 PLCG1 (0.52) PLCG1CA2KMT2AMMP1MMP13
SCHEMBL3059582 0.77 MMP2 (0.43) MMP2CA12CA14PLCG1CA2
SCHEMBL152957 0.73 MMP2 (0.53) MMP2CA12CA14PLCG1CA2
SCHEMBL10258225 0.73 PLCG1 (0.55) PLCG1CA2KMT2AMMP1MMP13
SCHEMBL27183394 0.72 MMP2 (0.50) MMP2CA12CA14PLCG1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220530-A1 ALBUMIN VARIANTS NOVOZYMES BIOPHARMA DK A/S (DK) 2012-08-30 — — US disclosed
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