SCHEMBL6870892

SCHEMBL6870892

CCOC(=O)CCN(C1(C(=O)Cl)CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
MMP13 P45452 7/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP14 P50281 3/20 0.42
MMP12 P39900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.37
CETP P11597 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MMP7 P09237 2/20 0.36
ABCB11 O95342 1/20 0.36
MMP10 P09238 1/20 0.36
ADAM17 P78536 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6866226 0.92 MMP1 (0.55) MMP1SMN1; SMN2MMP13MMP2MMP3
SCHEMBL6862342 0.92 MMP1 (0.59) MMP1SMN1; SMN2MMP13MMP2MMP9
SCHEMBL6813262 0.89 MMP1 (0.67) MMP1SMN1; SMN2MMP13MMP2MMP3
SCHEMBL6871476 0.85 MMP1 (0.47) MMP1SMN1; SMN2MMP13MMP2MMP3
SCHEMBL6809653 0.83 MMP1 (0.62) MMP1SMN1; SMN2MMP13NPSR1FFAR1
SCHEMBL6689128 0.83 MMP1 (0.65) MMP1SMN1; SMN2MMP13MMP2MMP9
SCHEMBL6813516 0.82 MMP1 (0.54) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7347709 0.82 MMP1 (0.56) MMP1SMN1; SMN2MMP13MMP2MMP3
SCHEMBL6870820 0.81 MMP1 (0.58) MMP1MMP13MMP2MMP3MMP9
SCHEMBL3921083 0.81 MMP1 (0.55) MMP1MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068180-B1 PROCESS FOR ALKYLATING HINDERED SULFONAMIDES USEFUL IN THE PRODUCTION OF MATRIX METALLOPROTENASE INHIBITORS PFIZER PROD INC (US) 2004-12-15 EP disclosed
EP-0949245-B1 Process for alkylating hindered sulfonamides PFIZER PROD INC (US) 2001-10-04 EP disclosed
US-6288246-B1 REACTION OF HYDROXYLAMINE WITH ALKYLSILYL HALIDE, HYDROLYSIS WITH ACID PFIZER INC 2001-09-11 US disclosed
US-6229025-B1 MICHAEL ADDITION TO PROPIOLATES PFIZER INC 2001-05-08 US disclosed
US-6114568-A Process for alkylating hindered sulfonamides useful in the production of matrix metalloproteinase inhibitors PFIZER INC. (US) 2000-09-05 US disclosed
EP-0949244-A2 Process for preparing hydroxamic acids Pfizer Products Inc. (US) 1999-10-13 EP disclosed
EP-0949245-A1 Process for alkylating hindered sulfonamides Pfizer Products Inc. (US) 1999-10-13 EP disclosed