SCHEMBL6784763

SCHEMBL6784763

CC#CCOc1ccc(SC(C)(C(=O)O)c2cccc(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.45
MMP9 P14780 11/20 0.40
MMP13 P45452 11/20 0.40
MMP1 P03956 9/20 0.40
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6786265 0.85 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6788057 0.81 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6788454 0.78 MEN1 (0.39) CYP3A4
SCHEMBL6785653 0.74 ADAM17 (0.49) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6782404 0.74 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6654467 0.73 ADAM17 (0.65) ADAM17MMP9MMP13MMP1
SCHEMBL6788196 0.73 ADAM17 (0.41) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6662235 0.72 ADAM17 (0.48) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6654871 0.71 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6656467 0.69 ADAM17 (0.48) ADAM17MMP9MMP13MMP1MMP2

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
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed