SCHEMBL6238601

SCHEMBL6238601

CCCNC[C@H]1CN(S(=O)(=O)c2ccc(OCc3cccc(Cl)c3)cc2)[C@@H](C(=O)O)[C@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.48
ADAM17 P78536 9/20 0.48
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MMP13 P45452 4/20 0.44
ADAMTS4 O75173 1/20 0.44
BCL2 P10415 1/20 0.44
BID P55957 1/20 0.44
MCL1 Q07820 1/20 0.44
MMP9 P14780 3/20 0.42
MMP3 P08254 2/20 0.42
GID4 Q8IVV7 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL6238590 0.85 MMP1 (0.46) MMP1ADAM17S1PR1S1PR5MMP13
SCHEMBL6240112 0.83 MMP1 (0.50) MMP1ADAM17S1PR1S1PR5MMP13
SCHEMBL7133979 0.79 ADAM17 (0.54) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL7132748 0.79 ADAM17 (0.54) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6236695 0.79 ADAM17 (0.54) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL7132752 0.79 ADAM17 (0.54) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6237169 0.76 ADAM17 (0.58) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6233609 0.76 ADAM17 (0.58) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6239293 0.75 MMP1 (0.53) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6240908 0.75 MMP1 (0.49) MMP1ADAM17S1PR1S1PR5MMP13

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
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed