SCHEMBL8406503

SCHEMBL8406503

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.49
CAPNS1 P04632 1/20 0.48
KMT2A Q03164 2/20 0.40
AIMP2 Q13155 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL8406511 1.00 CAPN1 (0.49) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8810081 0.92 CAPN1 (0.49) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8810089 0.92 CAPN1 (0.49) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8808437 0.91 CAPN1 (0.42) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8808424 0.91 CAPN1 (0.42) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL7514483 0.91 CAPN1 (0.49) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8404242 0.91 CAPN1 (0.54) CAPN1CAPNS1KMT2AMEN1CTSL
SCHEMBL8404247 0.91 CAPN1 (0.54) CAPN1CAPNS1KMT2AMEN1CTSL
SCHEMBL8403866 0.90 CAPN1 (0.50) CAPN1CAPNS1KMT2AAIMP2MEN1
SCHEMBL8403869 0.90 CAPN1 (0.50) CAPN1CAPNS1KMT2AAIMP2MEN1

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed