SCHEMBL6409602

SCHEMBL6409602

CCNC(=O)c1ccc(C#CC(O)c2cc(OCc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1.Cc1ccc(CNc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
BRD4 O60885 3/20 0.33
VNN1 O95497 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32

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
SCHEMBL5047191 0.90 LMNA (0.38) LMNABRD4HDAC3HDAC4HDAC1
SCHEMBL5050785 0.90 ACACB (0.37) LMNAVNN1HDAC1ALDH1A1MAPT
SCHEMBL5049705 0.87 PARP10 (0.44) PARP10SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL5047000 0.87 VNN1 (0.39) PARP10VNN1
SCHEMBL6411049 0.87 PARP10 (0.33) LMNAPARP10SIRT2SIRT1SIRT3
SCHEMBL6411995 0.87 HPGD (0.33) LMNAVNN1ALDH1A1MAPT
SCHEMBL5050793 0.84 BRD4 (0.37) LMNABRD4HDAC3HDAC4HDAC1
SCHEMBL5048383 0.83 ACACB (0.36) LMNAVNN1HDAC1HDAC6
SCHEMBL5044062 0.83 HDAC1 (0.41) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5047199 0.82 BRD4 (0.35) LMNASIRT2SIRT1SIRT3BRD4

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-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed