SCHEMBL29098741

SCHEMBL29098741

NC(N)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.67
ENPEP Q07075 1/20 0.67
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
FOLH1 Q04609 4/20 0.50
TPH1 P17752 1/20 0.47
SLC7A5 Q01650 2/20 0.47
SRD5A2 P31213 1/20 0.46
KMT2A Q03164 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
DPP4 P27487 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
ACACB O00763 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL27077444 0.85 ANPEP (0.65) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL5183224 0.83 ANPEP (0.62) ANPEPENPEPALDH1A1
SCHEMBL2439514 0.83 ANPEP (0.62) ANPEPENPEPALDH1A1
SCHEMBL27262015 0.83 ANPEP (0.62) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL251733 0.83 ANPEP (0.62) ANPEPENPEPALDH1A1
SCHEMBL19295504 0.83 SLC7A5 (0.69) ANPEPENPEPALDH1A1TPH1SLC7A5
SCHEMBL157002 0.83 SLC7A5 (0.69) ANPEPENPEPALDH1A1TPH1SLC7A5
SCHEMBL18920569 0.83 ANPEP (0.73) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL93441 0.83 SLC7A5 (0.69) ANPEPENPEPALDH1A1TPH1SLC7A5
SCHEMBL27702840 0.83 ANPEP (0.62) ANPEPENPEPALDH1A1TP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987390-A Polymeric material, preparation method thereof and medicine carrying material 南方科技大学 2023-11-03 CN disclosed