SCHEMBL7312224

SCHEMBL7312224

COc1ccc(SC(C(=O)NOC(C)(C)C)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
TRPA1 O75762 1/20 0.42
HTT P42858 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 2/20 0.40
MMP13 P45452 2/20 0.40
TNF P01375 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38

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
SCHEMBL6930628 0.85 ADAM17 (0.64) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL7311621 0.81 ALDH1A1 (0.44) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL726401 0.80 LDHA (0.46) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL27461841 0.78 ALDH1A1 (0.42) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL7308312 0.76 ALDH1A1 (0.41) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6929115 0.75 ALDH1A1 (0.47) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL7042798 0.73 HPGD (0.41) ADAM17KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7305749 0.73 MMP13 (0.71) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL6934693 0.72 ALDH1A1 (0.60) ADAM17KMT2AMEN1ALDH1A1RAB9A
SCHEMBL7551513 0.71 ADAM17 (0.52) ADAM17KMT2AMEN1ALDH1A1RAB9A

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