SCHEMBL28678140

SCHEMBL28678140

CC(C)CC(C(=O)O)N(Cl)CC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MME P08473 4/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 1/20 0.33
CPA1 P15085 1/20 0.33
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL6009581 0.82 RNPEP (0.36) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL6009571 0.82 RNPEP (0.36) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL3381425 0.73 RNPEP (0.44) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL3381426 0.73 RNPEP (0.44) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL6009578 0.72 MME (0.36) RNPEPSLC7A5MMECPA1MAPT
SCHEMBL3379157 0.70 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL3379156 0.70 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7136126 0.69 RNPEP (0.44) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL1191879 0.68 RNPEP (0.40) RNPEPSLC7A5MMESLC1A3SLC1A2
SCHEMBL6275148 0.68 OR51E2 (0.36) ALDH1A1OR51E2

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
CN-106699839-B Process for synthesizing Diapin (Gly-Gly-leu) by chemical method 北京双鹭药业股份有限公司 2022-02-01 CN disclosed