SCHEMBL4725802

SCHEMBL4725802

CC(C)C[C@@H]([C]=O)NC(=O)[C@H](CC(C)C)NC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CTSS P25774 5/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
FAAH O00519 2/20 0.51
TACR2 P21452 2/20 0.49
PSMB11 A5LHX3 1/20 0.49
PSMA7 O14818 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMA1 P25786 1/20 0.49
PSMA2 P25787 1/20 0.49
PSMA3 P25788 1/20 0.49
PSMA4 P25789 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMA5 P28066 1/20 0.49
PSMB4 P28070 1/20 0.49
PSMB6 P28072 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB10 P40306 1/20 0.49

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
SCHEMBL4729475 0.87 POLB (0.71) POLBCTSSMEN1KMT2AFAAH
SCHEMBL7209036 0.84 MEN1 (0.69) POLBCTSSMEN1KMT2AFAAH
SCHEMBL7208720 0.83 MEN1 (0.72) POLBMEN1KMT2AFAAHTACR2
SCHEMBL4725776 0.75 CYP3A4 (0.57) CTSSMEN1KMT2AFAAH
SCHEMBL7345585 0.74 CACNA1B (0.68) POLBPSMB11PSMA7PSMB1PSMA1
SCHEMBL6014223 0.73 CTSK (0.71) CTSSPSMB1PSMB5PSMB2
SCHEMBL11209608 0.73 CTSK (0.71) CTSSPSMB1PSMB5PSMB2
SCHEMBL7393092 0.73 CTSS (1.00) CTSS
SCHEMBL7362108 0.72 FAAH (0.72) POLBMEN1KMT2AFAAH
SCHEMBL24443103 0.72 POLB (0.69) POLBMEN1KMT2AFAAH

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed