SCHEMBL7104740

SCHEMBL7104740

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOCc1ccccc1)C(/C=C/c1ccccc1)(CC(C)C)S(=O)(=O)CCCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.34
CTSB P07858 2/20 0.34
ECE1 P42892 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MMP1 P03956 4/20 0.31
MMP3 P08254 5/20 0.31
MMP2 P08253 4/20 0.31
MMP7 P09237 3/20 0.31
FCER2 P06734 2/20 0.30
MMP8 P22894 2/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GP6 Q9HCN6 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7101854 0.93 ADAM17 (0.33) ADAM17CTSBECE1KDM4EMMP1
SCHEMBL7106109 0.92 CTSB (0.35) ADAM17CTSB
SCHEMBL7100580 0.92 CTSB (0.35) ADAM17CTSBECE1KDM4EMMP1
SCHEMBL7104768 0.84 ADAM17 (0.37) ADAM17MMP1
SCHEMBL7104737 0.83 CHRM2 (0.32) ADAM17
SCHEMBL7100102 0.83 ADAM17 (0.41) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL7104651 0.81 ADAM17 (0.42) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL7103553 0.81 ADAM17 (0.42) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL7104723 0.80 ADAM17 (0.44) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL7100916 0.77 CHRM2 (0.33) ADAM17

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 disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed