SCHEMBL31294431

SCHEMBL31294431

CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
MEN1 O00255 1/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.49
GGH Q92820 1/20 0.49
ADAMTS4 O75173 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP8 Q14790 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL29492020 0.89 CTSL (0.53) LMNATDP1HSD17B10HPGDCA2
SCHEMBL27989559 0.86 CASP3 (0.54) KMT2AALDH1A1LMNACA2CA1
SCHEMBL9830354 0.85 ALDH1A1 (0.56) KMT2AALDH1A1CA2CA1MEN1
SCHEMBL9830361 0.85 ALDH1A1 (0.56) KMT2AALDH1A1CA2CA1MEN1
SCHEMBL97498 0.84 CA2 (0.67) LMNATDP1HSD17B10HPGDCA2
SCHEMBL715646 0.84 CA2 (0.67) LMNATDP1HSD17B10HPGDCA2
SCHEMBL698067 0.84 CA2 (0.67) LMNATDP1HSD17B10HPGDCA2
SCHEMBL9830704 0.84 CTSL (0.56) KMT2AALDH1A1LMNACA2CA1
SCHEMBL9830711 0.84 CTSL (0.56) KMT2AALDH1A1LMNACA2CA1
SCHEMBL10957992 0.84 CTSL (0.51) LMNATDP1HSD17B10HPGDCA2

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
EP-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed