SCHEMBL8995416

SCHEMBL8995416

CC(=O)Nc1cc(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)c(O)c(CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 4/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL8674450 1.00 LMNA (0.41) LMNATDP1EYA2APPACE
SCHEMBL8541736 0.94 LMNA (0.46) LMNATDP1ALDH1A1GAATSHR
SCHEMBL8995401 0.83 GAA (0.41) LMNATDP1ALDH1A1GAATSHR
SCHEMBL8995403 0.80 GAA (0.36) LMNATDP1EYA2APPACE
SCHEMBL8540010 0.79 POLB (0.47) ALDH1A1GAATSHRKDM4ECA1
SCHEMBL8832295 0.79 TDP1 (0.48) LMNATDP1EYA2APPACE
SCHEMBL12749593 0.74 TDP1 (0.38) LMNATDP1EYA2APPACE
SCHEMBL10809043 0.73 ALDH1A1 (0.46) LMNATDP1EYA2APPACE
SCHEMBL21908843 0.72 POLB (0.46) LMNATDP1ALDH1A1GAAKDM4E
SCHEMBL5265431 0.72 EGFR (0.43) LMNATDP1EYA2APPACE

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-0566166-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1996-09-25 EP disclosed
EP-0570022-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1996-07-31 EP disclosed
EP-0570022-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1993-11-18 EP disclosed
EP-0566166-A1 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1993-10-20 EP disclosed