SCHEMBL6946650

SCHEMBL6946650

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.36
MMP13 P45452 1/20 0.35
PSMB5 P28074 2/20 0.35
MAPT P10636 6/20 0.33
MAPK1 P28482 3/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 5/20 0.33
POLB P06746 5/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
REN P00797 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
NPR3 P17342 1/20 0.33
LARS1 Q9P2J5 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
SCHEMBL6942609 0.86 ADAM17 (0.42) ADAM17MMP13LARS1
SCHEMBL7935004 0.80 ADAM17 (0.37) ADAM17PSMB5MAPTMAPK1KMT2A
SCHEMBL6942309 0.78 MMP2 (0.31) ADAM17
SCHEMBL6944661 0.73 ADAM17 (0.34) ADAM17PSMB5MAPTMAPK1KMT2A
SCHEMBL6940038 0.72
SCHEMBL6986272 0.72 MAPT (0.34) ADAM17PSMB5MAPTMAPK1KMT2A
SCHEMBL6942212 0.71 CYP3A4 (0.35) ADAM17MMP13PSMB5MAPTATM
SCHEMBL6942381 0.69 ADAM17 (0.40) ADAM17LARS1
SCHEMBL6942610 0.68 ADAM17 (0.46) ADAM17MMP13LARS1
SCHEMBL4481740 0.68 ADAM17 (0.46) ADAM17MMP13LARS1

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