SCHEMBL4457510

SCHEMBL4457510

CC(C)CN1CC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
HDAC1 Q13547 5/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
CTSD P07339 4/20 0.34
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL5008495 0.78 CTSD (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL2872653 0.78 CTSD (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3269625 0.78 CTSD (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL18872524 0.71 CTSD (0.42) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL5245588 0.70 PIK3CD (0.44) PIK3CD
SCHEMBL23754416 0.66 CTSD (0.40) CTSD
SCHEMBL31509493 0.66 CTSD (0.40) CTSD
SCHEMBL13250134 0.66 CTSD (0.40) CTSD
SCHEMBL9182647 0.65 KEAP1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL5247488 0.64 CTSD (0.30) CTSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065038-A1 New therapeutic approaches for treating Charcot-Marie-Tooth disease Pharnext (FR) 2009-06-03 EP claimed
US-20140343104-A1 OSTEOGENESIS PROMOTER AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-11-20 US disclosed
EP-2749285-A1 OSTEOGENESIS PROMOTER AND USE THEREOF National University Corporation Nagoya University (JP) 2014-07-02 EP disclosed
EP-2065038-A1 New therapeutic approaches for treating Charcot-Marie-Tooth disease Pharnext (FR) 2009-06-03 EP disclosed