SCHEMBL9135873

SCHEMBL9135873

N=C(N)NCCC[C@@H](C=O)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ TGM2 P21980 1/20 0.44
▸ CTSK P43235 3/20 0.43
▸ FOLH1 Q04609 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSH P09668 1/20 0.41

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
SCHEMBL9135888 1.00 HTT (0.46) HTTTGM2CTSKFOLH1ALDH1A1
SCHEMBL29959455 0.91 CTSL (0.48) CTSL
SCHEMBL5980007 0.91 CTSK (0.53) HTTTGM2CTSKFOLH1CTSL
SCHEMBL7266455 0.91 CTSK (0.53) HTTTGM2CTSKFOLH1CTSL
SCHEMBL7264476 0.91 CTSK (0.53) HTTTGM2CTSKFOLH1CTSL
SCHEMBL14629790 0.88 CTSL (0.44) CTSL
Sulfuric Acid SCHEMBL7274239 0.87 CTSK (0.49) HTTTGM2CTSKFOLH1CTSL
Sulfuric Acid SCHEMBL7272355 0.87 CTSK (0.49) HTTTGM2CTSKFOLH1CTSL
SCHEMBL10786282 0.85 FOLH1 (0.57) HTTTGM2FOLH1
SCHEMBL10786296 0.85 FOLH1 (0.57) HTTTGM2FOLH1

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-5416238-A L-argininal acetal derivatives and a process for production thereof NITTO BOSEKI CO., LTD. (JP) 1995-05-16 — — US disclosed
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