SCHEMBL31243301

SCHEMBL31243301

C=C(C)C(=O)N[C@@H](CCCCN)C(=O)OC(=O)[C@H](CCCCN)NC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FOLH1 Q04609 1/20 0.39
CPB2 Q96IY4 4/20 0.36
TLR2 O60603 2/20 0.35
SLC6A5 Q9Y345 1/20 0.34
ERAP2 Q6P179 3/20 0.33
LNPEP Q9UIQ6 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GSR P00390 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL29267410 0.91 TGFBR1 (0.44) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL8376832 0.84 TGFBR1 (0.46) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL1690444 0.84 TGFBR1 (0.59) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL6579582 0.84 TGFBR1 (0.59) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL686694 0.84 TGFBR1 (0.59) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL6273530 0.81 TGFBR1 (0.39) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL11921509 0.79 SIRT6 (0.44) TGFBR1SIRT6SIRT1FOLH1TLR2
SCHEMBL31571912 0.79 TGFBR1 (0.61) TGFBR1SIRT6SIRT1FOLH1CPB2
SCHEMBL28085656 0.78 FOLH1 (0.47) SIRT6SIRT1FOLH1CPB2SLC6A5
SCHEMBL31571914 0.78 TGFBR1 (0.59) TGFBR1SIRT6SIRT1FOLH1CPB2

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-119060328-B Enzyme response polyamino acid, polyamino acid hydrogel, and preparation methods and application thereof 中国科学院长春应用化学研究所 2025-03-07 CN disclosed
CN-119060328-A Enzyme response polyamino acid, polyamino acid hydrogel, and preparation methods and application thereof 中国科学院长春应用化学研究所 2024-12-03 CN disclosed