SCHEMBL28641573

SCHEMBL28641573

NC1(C(=O)O)CCOCC1.NC1(C(=O)O)CCOCC1.O=CN1C=CN(C=O)C=C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.31
CTSC P53634 1/20 0.30
GRM2 Q14416 2/20 0.30
GRM3 Q14832 2/20 0.30
GRM4 Q14833 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
MTOR P42345 1/20 0.30
GRM1 Q13255 1/20 0.30
PLCB1 Q9NQ66 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28621937 0.98 NSD2 (0.31) NSD2
SCHEMBL158602 0.81 NSD2 (0.44) NSD2CTSCGRM2GRM3GRM4
Hydrochloric Acid SCHEMBL2003747 0.79 NSD2 (0.42) NSD2CTSCGRM2GRM3GRM4
SCHEMBL28628754 0.76 ALDH1A1 (0.31)
SCHEMBL28966036 0.75 ALDH1A1 (0.30)
SCHEMBL5187625 0.70 NSD2 (0.43) NSD2GRM2GRM3GRM4CYP1A2
SCHEMBL185263 0.69
SCHEMBL2805443 0.69
SCHEMBL16868374 0.69
Hydrochloric Acid SCHEMBL5097246 0.68 NSD2 (0.41) NSD2GRM2GRM3GRM4CYP1A2

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-113429556-B Catalyst for synthesizing biocompatible material by carbon dioxide-epoxy compound copolymerization 郑州大学第一附属医院 2023-03-10 CN disclosed
CN-113429556-A Catalyst for synthesizing biocompatible material by carbon dioxide-epoxy compound copolymerization 郑州大学第一附属医院 2021-09-24 CN disclosed