SCHEMBL20179093

SCHEMBL20179093

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ LARS1 Q9P2J5 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LAP3 P28838 3/20 0.36
▸ ANPEP P15144 2/20 0.35
▸ RNPEP Q9H4A4 2/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ BIRC2 Q13490 1/20 0.35
▸ AAK1 Q2M2I8 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
SCHEMBL20177393 0.97 SLC7A5 (0.42) SLC7A5SCN9AMMP2MMP9MMP8
SCHEMBL1021759 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
SCHEMBL1019805 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
SCHEMBL2722882 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
SCHEMBL30543983 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
SCHEMBL30799510 0.81 SLC7A5 (0.44) SLC7A5MMP2MMP9MMP8LARS1
SCHEMBL2722888 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
SCHEMBL1019806 0.81 ALDH1A1 (0.56) SLC7A5ALDH1A1MAPTLAP3
Hydrochloric Acid SCHEMBL7866738 0.79 SLC7A5 (0.41) SLC7A5SCN9ALARS1ALDH1A1MAPT
SCHEMBL3303877 0.79 SLC7A5 (0.50) SLC7A5MMP2MMP3LARS1ALDH1A1

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-2018092724-A1 MOLECULAR KINETICS EVALUATION METHOD AND SCREENING METHOD 学校法人東京理科大学 2018-05-24 — — WO disclosed
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