SCHEMBL29334247

SCHEMBL29334247

NCC(=O)NCCCC[C@H](NC=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.39
▸ FOLH1 Q04609 4/20 0.38
▸ OTC P00480 1/20 0.38
▸ ALB P02768 2/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34
▸ TLR2 O60603 1/20 0.34

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
SCHEMBL25548901 0.84 MEN1 (0.53) NOD1FOLH1ALB
SCHEMBL24135883 0.84 C3AR1 (0.41) NOD1FOLH1
SCHEMBL6150091 0.81 FOLH1 (0.38) NOD1FOLH1
SCHEMBL20651662 0.81 FOLH1 (0.40) NOD1FOLH1OTCALBSIRT6
SCHEMBL1168516 0.80 GSR (0.53) FOLH1SLC6A5
SCHEMBL1168511 0.80 GSR (0.53) FOLH1SLC6A5
SCHEMBL28786641 0.80 GSR (0.53) FOLH1SLC6A5
SCHEMBL22737191 0.78 NOD1 (0.43) NOD1FOLH1
SCHEMBL6672850 0.78 OTC (0.58) NOD1OTCGNAI3GNAO1GNAI1
SCHEMBL358166 0.78 OTC (0.58) NOD1OTCGNAI3GNAO1GNAI1

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
WO-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 — — WO disclosed
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