SCHEMBL28033530

SCHEMBL28033530

O=C(O)CCC(NCCN(CC(=O)O)CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.47
NAALAD2 Q9Y3Q0 3/20 0.47
RIMKLA Q8IXN7 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL28033532 1.00 FOLH1 (0.47) FOLH1NAALAD2RIMKLATDP1EYA2
SCHEMBL30670301 0.88 FOLH1 (0.40) FOLH1NAALAD2RIMKLATDP1EYA2
SCHEMBL7882789 0.82 FOLH1 (0.38) FOLH1NAALAD2RIMKLAGGH
SCHEMBL27092866 0.82 TDP1 (0.46) TDP1EYA2APPACEBLM
SCHEMBL27092877 0.82 TDP1 (0.46) TDP1EYA2APPACEBLM
SCHEMBL29223077 0.81 TDP1 (0.41) FOLH1NAALAD2RIMKLATDP1EYA2
SCHEMBL29223072 0.81 TDP1 (0.41) FOLH1NAALAD2RIMKLATDP1EYA2
SCHEMBL27404937 0.81 FOLH1 (0.34) FOLH1NAALAD2RIMKLATDP1EYA2
SCHEMBL3905513 0.81 NOD1 (0.44) FOLH1NAALAD2RIMKLA
SCHEMBL8768068 0.81 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHGGT1

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
CN-108289970-B Formulations comprising a combination of MRI contrast agents 通用电气医疗集团股份有限公司 2022-04-08 CN disclosed
CN-112807449-A Magnetic resonance imaging contrast agent comprising T1 contrast material coated on the surface of a nanoparticle carrier 茵温特拉制药公司 2021-05-18 CN disclosed
CN-112089851-A Magnetic resonance imaging contrast agent comprising T1 contrast material coated on the surface of a nanoparticle carrier 茵温特拉制药公司 2020-12-18 CN disclosed
CN-104955486-A Magnetic resonance imaging contrast agent comprising T1 contrast material coated on the surface of a nanoparticle carrier UNIV YONSEI IACF 2015-09-30 CN disclosed