SCHEMBL7761385

SCHEMBL7761385

CC1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)C(C(=O)O)C(C)(C)O1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.60
ADAM17 P78536 9/20 0.60
MMP8 P22894 4/20 0.51
MMP13 P45452 4/20 0.51
MMP3 P08254 2/20 0.51
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL6239549 1.00 MMP1 (0.60) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6237402 0.91 MMP1 (0.71) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6239380 0.84 MMP1 (0.58) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL7765006 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6237732 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6241314 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6236919 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6238546 0.81 MMP1 (0.55) MMP1ADAM17MMP13
SCHEMBL7761414 0.81 MMP1 (0.55) MMP1ADAM17MMP13
SCHEMBL5756703 0.81 MMP1 (0.81) MMP1ADAM17MMP8MMP13MMP3

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