SCHEMBL7104728

SCHEMBL7104728

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)CCc1ccccn1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.69
MMP2 P08253 14/20 0.36
MMP3 P08254 12/20 0.36
MMP7 P09237 11/20 0.36
MMP1 P03956 9/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MMP8 P22894 3/20 0.35
MMP9 P14780 3/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Hydrochloric Acid SCHEMBL7104766 0.99 ADAM17 (0.68) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6944956 0.86 ADAM17 (0.70) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104724 0.85 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103578 0.85 ADAM17 (0.50) ADAM17
SCHEMBL6942479 0.84 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104655 0.84 ADAM17 (0.75) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103556 0.83 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103638 0.83 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL4481744 0.82 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL13274076 0.82 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP claimed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US claimed
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed