SCHEMBL8977417

SCHEMBL8977417

C=C(C)C(=O)NN(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 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
SCHEMBL27525063 0.77 KDM4E (0.37) TGFBR1KDM4EALDH1A1TDP1
SCHEMBL177769 0.77 TDP1 (0.38) KDM4ETDP1EYA2APPACE
SCHEMBL28825757 0.74 CA12 (0.37) TGFBR1ALDH1A1TSHR
SCHEMBL11649935 0.74 TGFBR1 (0.38) TGFBR1ALDH1A1
SCHEMBL9116946 0.72 CA12 (0.42) TGFBR1ALDH1A1TSHR
SCHEMBL5461842 0.72 ALDH1A1 (0.33) TGFBR1ALDH1A1
SCHEMBL28049819 0.71 TGFBR1 (0.32) TGFBR1KDM4E
SCHEMBL471930 0.69
SCHEMBL16268024 0.68 KDM4E (0.45) TGFBR1KDM4EALDH1A1TDP1EYA2
SCHEMBL18191955 0.68 TGFBR1 (0.37) TGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706520-A1 NOVEL CROSS-LINKING AGENTS AND USE THEREOF CULTOR OY (FI) 1996-04-17 EP disclosed
WO-1995001347-A1 NOVEL CROSS-LINKING AGENTS AND USE THEREOF CULTOR OY (FI) 1995-01-12 WO disclosed