SCHEMBL6944319

SCHEMBL6944319

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)C(Sc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.45
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 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
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 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
SCHEMBL6942312 0.89 ADAM17 (0.46) ADAM17KMT2AMEN1HTTNPSR1
SCHEMBL6942960 0.85 ADAM17 (0.43) ADAM17KMT2AMEN1CA12CA1
SCHEMBL6945567 0.84 ADAM17 (0.44) ADAM17KMT2AMEN1HTTMMP2
SCHEMBL6947666 0.84 ADAM17 (0.37) ADAM17
SCHEMBL7928825 0.84 ADAM17 (0.37) ADAM17
SCHEMBL6943561 0.83 ADAM17 (0.67) ADAM17KMT2AMEN1MMP2MMP9
SCHEMBL6945143 0.83 ADAM17 (0.44) ADAM17KMT2AMEN1MMP2CCNA2
SCHEMBL6944677 0.83 ADAM17 (0.40) ADAM17MMP2
SCHEMBL6947541 0.81 ADAM17 (0.41) ADAM17
SCHEMBL8107229 0.80 ADAM17 (0.34) ADAM17KMT2AMEN1HTTNPSR1

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 2 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