SCHEMBL6940940

SCHEMBL6940940

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.35
CTSC P53634 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PIN1 Q13526 2/20 0.31
GRIK1 P39086 3/20 0.31
GRIK2 Q13002 3/20 0.31
NFE2L2 Q16236 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6943008 0.91 NAMPT (0.34)
SCHEMBL6940907 0.90 ADAM17 (0.33) ADAM17CTSCMAPTSMN1; SMN2LMNA
SCHEMBL6944737 0.90 MMP9 (0.36) MAPTSMN1; SMN2MAOAMAOBTP53
SCHEMBL6942799 0.90 ADAM17 (0.34) ADAM17CTSCMAPTSMN1; SMN2LMNA
SCHEMBL6940117 0.89 GRIK1 (0.35) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6945854 0.87 ADAM17 (0.37) ADAM17
SCHEMBL6943877 0.86
SCHEMBL6939934 0.85 ADAM17 (0.36) ADAM17CTSCHTTGRIK1GRIK2
SCHEMBL6946176 0.85 TGFBR1 (0.33)
SCHEMBL6941761 0.85 TAS1R3 (0.33) ADAM17

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP claimed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US claimed
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