SCHEMBL6942707

SCHEMBL6942707

CCC[C@@H](C(=O)NN)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CACNA1B Q00975 1/20 0.32
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE5A O76074 1/20 0.32
HTR2A P28223 3/20 0.31
GAA P10253 1/20 0.31
ANXA2 P07355 2/20 0.31
S100A10 P60903 2/20 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
SCHEMBL6944740 0.90 CHRNB2 (0.36) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7812198 0.83 CTSC (0.33) CTSCMAOAMAOBGRIK1GRIK2
SCHEMBL6984922 0.83 CTSC (0.33) CTSCMAOAMAOBGRIK1GRIK2
SCHEMBL6946939 0.83 MAOA (0.39) LMNAL3MBTL1MAOAMAOBCACNA1B
SCHEMBL7139769 0.82 ANXA2 (0.38) LMNAL3MBTL1MAOAMAOBCACNA1B
SCHEMBL6940308 0.82 MMP1 (0.41) KMT2ASMN1; SMN2
SCHEMBL7940341 0.75 F10 (0.32) LMNAKMT2AMAPTHTT
SCHEMBL6983883 0.74 GRIK1 (0.37) CTSCLMNAGRIK1GRIK2MAPT
SCHEMBL7127180 0.72 LMNA (0.33) LMNAL3MBTL1MAOAMAOBCACNA1B
SCHEMBL6987723 0.71 CTSC (0.36) CTSCLMNAGRIK1GRIK2MAPT

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