SCHEMBL6942476

SCHEMBL6942476

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CCCC1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
BCHE P06276 1/20 0.36
BMP1 P13497 5/20 0.35
MMP3 P08254 8/20 0.34
MMP2 P08253 8/20 0.34
MMP1 P03956 7/20 0.34
MMP8 P22894 6/20 0.34
MMP13 P45452 6/20 0.34
CPB2 Q96IY4 2/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL6942694 0.91 ADAM17 (0.51) ADAM17BCHEBMP1MMP3MMP2
SCHEMBL6939562 0.87 ADAM17 (0.40) ADAM17BCHEBMP1MMP3MMP2
SCHEMBL6940034 0.84 ADAM17 (0.52) ADAM17MMP3MMP2MMP1MMP8
SCHEMBL6940361 0.83 ADAM17 (0.37) ADAM17BCHEBMP1MMP3MMP2
SCHEMBL6947526 0.78 ADAM17 (0.47) ADAM17MMP3MMP2MMP1MMP8
SCHEMBL6945603 0.77 ADAM17 (0.38) ADAM17BMP1MMP3MMP2MMP1
SCHEMBL6942207 0.74 ADAM17 (0.51) ADAM17MMP3MMP2MMP1MMP8
SCHEMBL6947013 0.73 MMP1 (0.52) ADAM17MMP3MMP2MMP1MMP8
SCHEMBL6945863 0.72 ADAM17 (0.55) ADAM17MMP3MMP2MMP1MMP8
SCHEMBL6980963 0.71 MMP1 (0.36) ADAM17BCHEBMP1MMP3MMP2

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed