SCHEMBL6786265

SCHEMBL6786265

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.44
MMP9 P14780 10/20 0.40
MMP13 P45452 10/20 0.40
MMP1 P03956 8/20 0.37
MMP2 P08253 2/20 0.35
MMP14 P50281 2/20 0.35
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
SCHEMBL6785653 0.88 ADAM17 (0.49) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6788196 0.88 ADAM17 (0.41) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6782404 0.87 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6784763 0.85 ADAM17 (0.45) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6785229 0.84 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6786027 0.83 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6782624 0.82 ADAM17 (0.49) ADAM17MMP9MMP13MMP1
SCHEMBL6655628 0.81 ADAM17 (0.42) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6787530 0.81 ALDH1A1 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6787397 0.79 ADAM17 (0.39) 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