SCHEMBL6945567

SCHEMBL6945567

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CCOc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.44
MMP3 P08254 4/20 0.35
MMP1 P03956 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31

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
SCHEMBL6944677 0.87 ADAM17 (0.40) ADAM17MMP3MMP1MMP2
SCHEMBL6942312 0.87 ADAM17 (0.46) ADAM17MMP3MMP1MEN1KMT2A
SCHEMBL6945143 0.85 ADAM17 (0.44) ADAM17MMP3MEN1KMT2AMMP2
SCHEMBL6944319 0.84 ADAM17 (0.45) ADAM17MEN1KMT2AHTTLMNA
SCHEMBL6943561 0.84 ADAM17 (0.67) ADAM17MEN1KMT2ACASP1CASP3
SCHEMBL6945603 0.84 ADAM17 (0.38) ADAM17MMP3MMP1MMP2
SCHEMBL6946922 0.82 ADAM17 (0.37) ADAM17MMP3MMP1MMP2
SCHEMBL6940361 0.82 ADAM17 (0.37) ADAM17MMP3MMP1MMP2
SCHEMBL6942960 0.82 ADAM17 (0.43) ADAM17MMP1MEN1KMT2AHPGD
SCHEMBL6947541 0.81 ADAM17 (0.41) ADAM17KDM4E

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