SCHEMBL7275440

SCHEMBL7275440

CC(C)C(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 3/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ LAP3 P28838 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ RNPEP Q9H4A4 1/20 0.39
▸ DNPEP Q9ULA0 1/20 0.39

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
SCHEMBL7420644 0.89 ANPEP (0.43) SLC15A1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3798156 0.86 SLC6A2 (0.42) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL11801400 0.86 SLC15A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5065711 0.86 ALDH1A1 (0.50) SLC15A1ALDH1A1ABCB1LMNAPOLB
SCHEMBL7292946 0.84 SLC15A1 (0.50) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL28790921 0.84 SLC15A1 (0.50) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7604639 0.83 SLC15A1 (0.43) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL10443784 0.83 SLC15A1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7365482 0.82 CTSB (0.43) ALDH1A1ABCB1HSD17B10CTSB
SCHEMBL8111386 0.82 ALDH1A1 (0.47) SLC15A1ALDH1A1ABCB1LMNAPOLB

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
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
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