SCHEMBL14034686

SCHEMBL14034686

CNC(=O)[C@H](C)C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ ACE P12821 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGS2 P35354 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 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
SCHEMBL13742150 1.00 TP53 (0.38) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL13310465 0.78 TP53 (0.57) TP53ALDH1A1SLC7A5LMNA
SCHEMBL83830 0.78 TP53 (0.57) TP53ALDH1A1SLC7A5LMNA
SCHEMBL715386 0.78 TP53 (0.57) TP53ALDH1A1SLC7A5LMNA
SCHEMBL812149 0.78 TP53 (0.57) TP53ALDH1A1SLC7A5LMNA
SCHEMBL812166 0.78 TP53 (0.57) TP53ALDH1A1SLC7A5LMNA
SCHEMBL15314118 0.77 — —
SCHEMBL15314123 0.77 — —
SCHEMBL5951693 0.77 — —
SCHEMBL23482736 0.76 ALDH1A1 (0.39) TP53ALDH1A1MEN1KMT2ALMNA

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
US-20080280055-A1 Inkjet Lithographic Printing Plates and Method for Their Preparation AGFA GRAPHICS NV (BE) 2008-11-13 — — US disclosed
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