SCHEMBL8274377

SCHEMBL8274377

Nc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.71
▸ ADAM10 O14672 1/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ MMP3 P08254 1/20 0.63
▸ MMP7 P09237 1/20 0.63
▸ MMP9 P14780 1/20 0.63
▸ MMP13 P45452 1/20 0.63
▸ MMP14 P50281 1/20 0.63

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
SCHEMBL8274924 1.00 ADAM17 (0.71) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8273719 0.92 ADAM17 (0.73) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8273286 0.91 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8212510 0.89 ADAM17 (0.69) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8220574 0.89 ADAM17 (0.69) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8273718 0.88 ADAM17 (0.72) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8212351 0.88 ADAM17 (0.67) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8415258 0.85 ADAM17 (0.89) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8274372 0.85 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP7
SCHEMBL8220577 0.84 ADAM17 (0.70) ADAM17ADAM10MMP2MMP3MMP7

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
Send feedback