SCHEMBL7413170

SCHEMBL7413170

C=CCOC(=O)[C@@H](CC(=O)NOCc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.48
MMP9 P14780 3/20 0.48
MMP3 P08254 10/20 0.48
MMP1 P03956 6/20 0.46
MMP13 P45452 4/20 0.46
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MMP8 P22894 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
BMP1 P13497 3/20 0.42

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
SCHEMBL7414840 0.82 SLC1A3 (0.46) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7414842 0.82 SLC1A3 (0.46) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7422337 0.79 MMP2 (0.62) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7422335 0.79 MMP2 (0.62) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6723870 0.73 MMP2 (0.41) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7383552 0.73 ADAMTS4 (0.61) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7383553 0.73 ADAMTS4 (0.61) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6075462 0.72 MMP2 (0.53) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6323453 0.72 MMP2 (0.73) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6323452 0.72 MMP2 (0.73) MMP2MMP9MMP3MMP1MMP13

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-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed