SCHEMBL7766711

SCHEMBL7766711

COCC1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)C(C(=O)O)C(C)O1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.50
ADAM17 P78536 9/20 0.50
MMP13 P45452 3/20 0.50
MMP8 P22894 4/20 0.48
MMP3 P08254 4/20 0.48
S1PR5 Q9H228 1/20 0.45
MMP9 P14780 2/20 0.44
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL6236748 1.00 MMP1 (0.50) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238754 0.92 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6239585 0.92 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7765805 0.92 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240296 0.91 MMP1 (0.61) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6381291 0.91 MMP1 (0.61) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6236919 0.88 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6237732 0.88 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7765006 0.88 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241314 0.88 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed