SCHEMBL6788196

SCHEMBL6788196

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.41
PKM P14618 1/20 0.39
MMP9 P14780 6/20 0.38
MMP13 P45452 6/20 0.38
MMP1 P03956 4/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KIF11 P52732 1/20 0.34
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL6786265 0.88 ADAM17 (0.44) ADAM17MMP9MMP13MMP1CYP19A1
SCHEMBL6787530 0.87 ALDH1A1 (0.44) ADAM17MMP9MMP13MMP1MEN1
SCHEMBL6785229 0.84 ADAM17 (0.44) ADAM17MMP9MMP13MMP1CYP19A1
SCHEMBL6786027 0.83 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6782624 0.82 ADAM17 (0.49) ADAM17PKMMMP9MMP13MMP1
SCHEMBL6782404 0.81 ADAM17 (0.44) ADAM17MMP9MMP13MMP1CYP19A1
SCHEMBL6655628 0.81 ADAM17 (0.42) ADAM17MMP9MMP13MMP1CYP19A1
SCHEMBL6785959 0.80 KIF11 (0.39) PKMKIF11
SCHEMBL6787397 0.79 ADAM17 (0.39) ADAM17MMP9MMP13MMP1FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed