SCHEMBL6664026

SCHEMBL6664026

CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCCCC(O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TACR1 P25103 1/20 0.43
SIRT2 Q8IXJ6 5/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6661796 0.81 CTSB (0.54) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL6664022 0.79 TACR1 (0.42) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6683867 0.77 CTSK (0.51) TACR1CTSLCTSBCTSSMEN1
SCHEMBL8343457 0.77 CTSK (0.51) TACR1CTSLCTSBCTSSMEN1
SCHEMBL6666188 0.77 CTSB (0.57) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL6662946 0.75 PSMB5 (0.55) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL5365857 0.74 MAPT (0.80) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5365861 0.74 MAPT (0.80) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL15462622 0.74 MME (0.50) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL20052400 0.74 MME (0.50) CTSLCTSBCTSSMEN1KMT2A

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-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed