SCHEMBL7278883

SCHEMBL7278883

N[C@@H](CC1CCCCC1)[C@](O)(c1nccs1)I(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ EPHX2 P34913 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CTSK P43235 1/20 0.35
▸ GCK P35557 10/20 0.34
▸ CTSC P53634 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL9740788 0.72 POLB (0.34) POLBEPHX2CTSKGCKCTSC
SCHEMBL7269271 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7299275 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7269929 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7269925 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7269553 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7269548 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL7269543 0.66 POLB (0.39) POLBEPHX2CTSKGCK
SCHEMBL2041403 0.66 MEN1 (0.46) POLBEPHX2MEN1KMT2AALDH1A1
SCHEMBL2672708 0.65 EPHX2 (0.60) POLBEPHX2MEN1KMT2AGCK

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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