SCHEMBL6664022

SCHEMBL6664022

CCCCN(C(=O)N(CC)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)C(O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CTSL P07711 4/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 3/20 0.40
MAPT P10636 1/20 0.39
PSMB5 P28074 1/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL6661794 0.81 CTSB (0.51) CTSLCTSSCTSBPSMB5CTSK
SCHEMBL6664026 0.79 MAPT (0.48) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8343457 0.76 CTSK (0.51) TACR1CTSLCTSSCTSBPSMB5
SCHEMBL6683867 0.76 CTSK (0.51) TACR1CTSLCTSSCTSBPSMB5
SCHEMBL6666188 0.76 CTSB (0.57) CTSLCTSSCTSBPSMB5CTSK
SCHEMBL6665963 0.73 PSMB5 (0.41) CTSLCTSSCTSBPSMB5CTSK
SCHEMBL6662946 0.73 PSMB5 (0.55) CTSLCTSSCTSBPSMB5CTSK
SCHEMBL6664032 0.72 MEN1 (0.38) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15462622 0.71 MME (0.50) CTSLCTSSCTSBPSMB5CTSK
SCHEMBL6661796 0.71 CTSB (0.54) CTSLCTSSCTSBPSMB5CTSK

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