SCHEMBL7941670

SCHEMBL7941670

O=C1NC(=O)[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2ccco2)N1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.58
TNF P01375 2/20 0.43
ADAM10 O14672 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL7935224 0.86 ADAM17 (0.66) ADAM17TNF
SCHEMBL10262847 0.86 ADAM17 (0.66) ADAM17TNF
SCHEMBL7942965 0.80 ADAM17 (0.64) ADAM17TNFADAM10MMP1MMP2
SCHEMBL7940074 0.75 ADAM17 (0.52) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL10200610 0.69 ADAM17 (0.64) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL10264490 0.69 ADAM17 (0.64) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7934580 0.68 ADAM17 (0.73) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10263439 0.67 ADAM17 (0.72) ADAM17TNF
SCHEMBL10263143 0.67 ADAM17 (0.74) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10199244 0.67 ADAM17 (0.72) ADAM17TNF

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