SCHEMBL7946028

SCHEMBL7946028

COc1ccc2c(c1)C(=O)N(C[C@]1(c3cc4cc(C(=O)NCCN(C)CCNC(=O)OC(C)(C)C)c(F)cc4o3)CONC(=O)N1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.42
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
TNF P01375 3/20 0.39

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
SCHEMBL7942673 0.89 ADAM17 (0.57) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7941729 0.81 ADAM17 (0.47) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7945229 0.80 ADAM17 (0.49) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7944073 0.80 ADAM17 (0.60) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7941536 0.80 ADAM17 (0.44) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7934899 0.79 ADAM17 (0.62) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7940829 0.78 ADAM17 (0.57) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10262976 0.78 POLB (0.32) ADAM17TNF
SCHEMBL7941655 0.76 ADAM17 (0.65) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10263969 0.74 ADAM17 (0.48) ADAM17ADAM10MMP1MMP2MMP3

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-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed