SCHEMBL7935800

SCHEMBL7935800

COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc5c(cc4o3)CCC5)NC(=O)NC1=O)C2

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.77
ADAM10 O14672 1/20 0.72
MMP1 P03956 1/20 0.72
MMP2 P08253 1/20 0.72
MMP3 P08254 1/20 0.72
MMP9 P14780 1/20 0.72
MMP13 P45452 1/20 0.72
MMP14 P50281 1/20 0.72

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
SCHEMBL10200552 0.90 ADAM17 (0.86) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10200775 0.90 ADAM17 (0.86) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL12860250 0.89 ADAM17 (0.78) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7943854 0.88 ADAM17 (0.71) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10202302 0.87 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10263788 0.87 ADAM17 (0.77) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL12860245 0.86 ADAM17 (0.80) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10199470 0.86 ADAM17 (0.80) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL12860247 0.86 ADAM17 (0.80) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7944336 0.86 ADAM17 (0.80) 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