SCHEMBL6945566

SCHEMBL6945566

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(COc1ccccc1)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP3 P42574 2/20 0.31
P2RX3 P56373 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
SCHEMBL6944675 0.88
SCHEMBL6945601 0.83
SCHEMBL6941949 0.82 ADAM17 (0.37) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6945140 0.82
SCHEMBL6940360 0.82
SCHEMBL6942309 0.82 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6942209 0.81 ADAM17 (0.33) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6943556 0.81 ADAM17 (0.33) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL8111706 0.81 ADAM17 (0.33) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6943373 0.79 ADAM17 (0.33) MMP2MMP9ANPEPLTA4HLAP3

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