SCHEMBL6943288

SCHEMBL6943288

CCCC[C@@H](C(=O)O)C(C/C=C/c1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
JUN P05412 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6945570 0.88 LMNA (0.43) LMNA
SCHEMBL6940923 0.77 L3MBTL1 (0.34) L3MBTL1
SCHEMBL27487428 0.77 L3MBTL1 (0.34) L3MBTL1
SCHEMBL6944742 0.75 CHRNB2 (0.43) TBXAS1CHRNB2CHRNA4RAB9ANPC1
SCHEMBL6982398 0.74 CHRNB2 (0.45) TBXAS1CHRNB2CHRNA4RAB9AKDM4E
SCHEMBL6223932 0.73 ADAM17 (0.45) MAPTMAPK1KMT2A
SCHEMBL6220793 0.73 ADAM17 (0.45) MAPTMAPK1KMT2A
SCHEMBL6224872 0.73 ADAM17 (0.45) MAPTMAPK1KMT2A
SCHEMBL6220557 0.73 ADAM17 (0.45) MAPTMAPK1KMT2A
SCHEMBL6223927 0.73 ADAM17 (0.45) MAPTMAPK1KMT2A

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 3 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
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