SCHEMBL24235520

SCHEMBL24235520

CC(=O)CCC(=O)NCCCCC(NC(=O)CCC(C)=O)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ ALB P02768 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CASP2 P42575 1/20 0.37
▸ GLP1R P43220 8/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NAAA Q02083 1/20 0.35

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
SCHEMBL23463505 0.88 ALDH1A1 (0.38) NOD1FOLH1ALBALDH1A1CASP2
SCHEMBL23463268 0.86 ALB (0.43) NOD1FOLH1ALBALDH1A1CASP2
SCHEMBL13057101 0.85 FOLH1 (0.55) NOD1FOLH1ALBGLP1REPHX2
SCHEMBL25129549 0.84 NOD1 (0.39) NOD1FOLH1ALBALDH1A1CASP2
SCHEMBL27315235 0.83 NMT2 (0.43) NOD1GLP1RNMT2NMT1SIRT6
SCHEMBL25517376 0.82 GNPAT (0.43) NOD1FOLH1GLP1RNMT2NMT1
SCHEMBL18513227 0.81 NMT1 (0.54) NOD1GLP1RNMT2NMT1
SCHEMBL24482613 0.80 NOD1 (0.46) NOD1CASP2GLP1REPHX2NAAA
SCHEMBL20235702 0.80 FOLH1 (0.41) NOD1FOLH1ALBALDH1A1GLP1R
SCHEMBL16231541 0.79 FOLH1 (0.40) NOD1FOLH1ALBALDH1A1GLP1R

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-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
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