SCHEMBL8404222

SCHEMBL8404222

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.47
CAPNS1 P04632 1/20 0.46
CCR1 P32246 6/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL8810066 0.91 CAPN1 (0.47) CAPN1CAPNS1TAS1R3TAS1R1LMNA
SCHEMBL8404255 0.85 HTT (0.46) CAPN1CAPNS1CCR1HTTPOLB
SCHEMBL8404224 0.83 CAPN1 (0.65) CAPN1CAPNS1CCR1
SCHEMBL8404221 0.83 CAPN1 (0.65) CAPN1CAPNS1CCR1
SCHEMBL8406510 0.83 MMP2 (0.38) CAPN1CAPNS1HTTLMNAALDH1A1
SCHEMBL8808948 0.82 CAPN1 (0.44) CAPN1CAPNS1CCR1POLBP2RX7
SCHEMBL8407947 0.81 CAPN1 (0.44) CAPN1CAPNS1HTTPOLBPSMB5
SCHEMBL8809938 0.80 CAPN1 (0.41) CAPN1CAPNS1TAS1R3TAS1R1MAPK1
SCHEMBL8808907 0.78 CAPN1 (0.43) CAPN1CAPNS1PSMB1PSMB5PSMB2
SCHEMBL8406495 0.78 CAPN1 (0.51) CAPN1CAPNS1PSMB1PSMB5PSMB2

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