SCHEMBL16378518

SCHEMBL16378518

CCC[C@H](CCCO)NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.41
▸ MMP1 P03956 5/20 0.41
▸ MMP2 P08253 5/20 0.41
▸ MMP3 P08254 5/20 0.41
▸ MMP7 P09237 5/20 0.41
▸ MMP9 P14780 5/20 0.41
▸ RORC P51449 1/20 0.39
▸ ADAMTS4 O75173 3/20 0.39
▸ EEF2K O00418 1/20 0.39
▸ HSD11B1 P28845 2/20 0.36
▸ APLNR P35414 1/20 0.36
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ GPR27 Q9NS67 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 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
SCHEMBL18744701 0.94 MMP13 (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL19156547 0.94 MMP13 (0.43) MMP13MMP1MMP2MMP3MMP7
SCHEMBL23953171 0.87 MMP13 (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL23953155 0.81 RORC (0.44) MMP13MMP1MMP2MMP3MMP7
SCHEMBL12508301 0.80 ALOX5AP (0.46) MMP13MMP1MMP2MMP3MMP7
SCHEMBL19156975 0.79 MMP1 (0.46) MMP13MMP1MMP2MMP3MMP7
SCHEMBL18744703 0.78 TDO2 (0.43) MMP13MMP1MMP2MMP3MMP7
SCHEMBL19156814 0.77 TDO2 (0.41) MMP13MMP1MMP2MMP3MMP7
SCHEMBL23953158 0.77 CA12 (0.43) MMP13MMP1MMP2MMP3MMP7
SCHEMBL19681317 0.76 ALOX5AP (0.46) MMP13MMP1MMP2MMP3MMP7

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
WO-2014207445-A1 N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-PHENYL-BENZENESULFONAMIDES AND N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-(2-PYRIDYL)BENZENESULFONAMIDES AND THEIR THERAPEUTIC USE PIMCO 2664 LIMITED (GB) 2014-12-31 — — WO disclosed
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