SCHEMBL28299869

SCHEMBL28299869

O=C(O)CC(O)(CC(=O)Oc1ccc(OC(=O)CC(O)(CC(=O)O)C(=O)O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SLC13A5 Q86YT5 7/20 0.42
LMNA P02545 6/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
CYP2C9 P11712 2/20 0.40
MAPK1 P28482 2/20 0.40
ESR1 P03372 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
GMNN O75496 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2169485 0.93 ALDH1A1 (0.48) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL6600932 0.93 ALDH1A1 (0.52) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL27798063 0.92 ALDH1A1 (0.47) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL28861794 0.92 ALDH1A1 (0.47) ALDH1A1SLC13A5LMNAKMT2AKDM4E
Ammonia Solution, Strong SCHEMBL21219130 0.91 ALDH1A1 (0.50) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL28105443 0.91 ALDH1A1 (0.50) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL27589888 0.91 ALDH1A1 (0.50) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL28023748 0.91 SLC13A5 (0.56) ALDH1A1SLC13A5LMNAKMT2AKDM4E
SCHEMBL28842730 0.89 KMT2A (0.50) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL27729499 0.89 PARP10 (0.46) ALDH1A1LMNAKMT2AKDM4EMEN1

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
CN-109912449-A Improved technology method for preparing high-purity N-dimethylamino succinamic acid 东力(南通)化工有限公司 2019-06-21 CN claimed
CN-109912449-A Improved technology method for preparing high-purity N-dimethylamino succinamic acid 东力(南通)化工有限公司 2019-06-21 CN disclosed