SCHEMBL28648657

SCHEMBL28648657

C=C(C)C(=O)NC(N)CCC(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
ENPEP Q07075 1/20 0.38
SLC7A5 Q01650 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8735699 0.83 TGFBR1 (0.43) TGFBR1TDP1
SCHEMBL4563862 0.78 TGFBR1 (0.42) TGFBR1
SCHEMBL6240724 0.76 TGFBR1 (0.41) TGFBR1GRIK1GRIK2
SCHEMBL29020061 0.76 TGFBR1 (0.41) TGFBR1
SCHEMBL340694 0.76 TGFBR1 (0.47) TGFBR1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL4442289 0.75 TGFBR1 (0.46) TGFBR1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL28412043 0.75 TGFBR1 (0.46) TGFBR1TDP1ALDH1A1
SCHEMBL18139413 0.73 TGFBR1 (0.57) TGFBR1TDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL411710 0.73 TGFBR1 (0.44) TGFBR1TDP1
Hydrochloric Acid SCHEMBL28634771 0.72 TGFBR1 (0.43) TGFBR1TDP1

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-113613677-A Polymeric drug delivery conjugates and methods of making and using the same 犹他大学研究基金会 2021-11-05 CN claimed
CN-113613677-A Polymeric drug delivery conjugates and methods of making and using the same 犹他大学研究基金会 2021-11-05 CN disclosed