SCHEMBL8275641

SCHEMBL8275641

O=C(NCc1ccc(-c2ccccc2OCc2ccccc2)cn1)C(O)C(O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.79
▸ ADAM10 O14672 2/20 0.56
▸ MMP2 P08253 2/20 0.56
▸ MMP3 P08254 2/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ MMP7 P09237 1/20 0.56
▸ MMP9 P14780 1/20 0.56

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
SCHEMBL8217793 1.00 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8217801 0.91 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8219905 0.90 ADAM17 (0.80) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8210503 0.90 ADAM17 (0.80) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8219940 0.89 ADAM17 (0.78) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8219901 0.89 ADAM17 (0.85) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8218124 0.89 ADAM17 (1.00) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8275762 0.88 ADAM17 (0.84) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8276121 0.88 ADAM17 (0.84) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8219908 0.85 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP13

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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