SCHEMBL7308949

SCHEMBL7308949

CCC(Sc1ccc(OC)cc1)C(C)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MMP1 P03956 6/20 0.44
MMP13 P45452 5/20 0.44
ANPEP P15144 2/20 0.43
BMP1 P13497 1/20 0.43
MMP9 P14780 7/20 0.43
MMP2 P08253 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP3 P08254 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7311621 0.84 ALDH1A1 (0.44) ADAM17ALDH1A1KMT2AMEN1CA1
SCHEMBL7300038 0.84 LDHA (0.45) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7551513 0.81 ADAM17 (0.52) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL6934693 0.79 ALDH1A1 (0.60) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL6819804 0.79 MMP3 (0.63) ALDH1A1KMT2AMEN1MMP1MMP13
SCHEMBL6930628 0.77 ADAM17 (0.64) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL27464871 0.76 MMP13 (0.48) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL7307517 0.74 ADAM17 (0.43) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL7646610 0.74 ADAM17 (0.47) ADAM17ALDH1A1KMT2AMEN1MMP1
SCHEMBL6930702 0.73 MMP9 (0.68) ADAM17ALDH1A1KMT2AMEN1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed