SCHEMBL6945559

SCHEMBL6945559

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.37
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTSC P53634 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFE2L2 Q16236 1/20 0.31
TP53 P04637 1/20 0.31
HTR2A P28223 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
SCHEMBL6943055 0.93 PIN1 (0.34) PIN1GRIK1GRIK2MEN1KMT2A
SCHEMBL6943537 0.92 MMP1 (0.35) PIN1GRIK1GRIK2MEN1KMT2A
SCHEMBL6942465 0.89 PIN1 (0.32) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL6943697 0.86 MASP2 (0.34) MEN1KMT2ACTSC
SCHEMBL6943182 0.84 CTSC (0.34) PIN1GRIK1GRIK2MEN1KMT2A
SCHEMBL6945039 0.83 TGFBR1 (0.33)
SCHEMBL6985696 0.82 CTSC (0.35) GRIK1GRIK2MEN1KMT2ALMNA
SCHEMBL6987488 0.77 ADAM17 (0.31) GRIK1GRIK2CTSC
SCHEMBL6986164 0.77 ADAM17 (0.31) GRIK1GRIK2CTSC
SCHEMBL6940940 0.76 ADAM17 (0.35) PIN1GRIK1GRIK2MEN1KMT2A

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