SCHEMBL20177393

SCHEMBL20177393

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.42
▸ SCN9A Q15858 3/20 0.40
▸ LARS1 Q9P2J5 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LAP3 P28838 3/20 0.37
▸ ANPEP P15144 2/20 0.37
▸ RNPEP Q9H4A4 2/20 0.37
▸ DNPEP Q9ULA0 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ MMP3 P08254 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
SCHEMBL20179093 0.97 SLC7A5 (0.40) SLC7A5SCN9ALARS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7866738 0.81 SLC7A5 (0.41) SLC7A5SCN9ALARS1ALDH1A1MAPT
SCHEMBL18088732 0.80 SLC7A5 (0.47) SLC7A5SCN9ALARS1ALDH1A1MAPT
Leu-Leu SCHEMBL13737576 0.80 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTLAP3MEN1
Leu-Leu SCHEMBL235250 0.80 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTLAP3MEN1
SCHEMBL10363299 0.80 SLC7A5 (0.47) SLC7A5SCN9ALARS1ALDH1A1MAPT
Leu-Leu SCHEMBL6044006 0.80 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTLAP3MEN1
Leu-Leu SCHEMBL235249 0.80 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTLAP3MEN1
SCHEMBL10363301 0.80 SLC7A5 (0.47) SLC7A5SCN9ALARS1ALDH1A1MAPT
Leu-Leu SCHEMBL29401942 0.80 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTLAP3MEN1

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
WO-2018092723-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 — — WO disclosed
WO-2018092725-A1 p53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 — — WO disclosed
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