SCHEMBL6411049

SCHEMBL6411049

CCNC(=O)c1ccc(C#CC(O)c2cc(N(C)Cc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1.Cc1ccc(COc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.33
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL5043959 0.90 ACACB (0.38) ACACBALDH1A1MAPTLMNAHNF4A
SCHEMBL5047191 0.89 LMNA (0.38) ACACBALDH1A1MAPTMAPK1LMNA
SCHEMBL6409602 0.87 LMNA (0.34) PARP10ALDH1A1MAPTMAPK1SIRT2
SCHEMBL5050668 0.87 HNF4A (0.35) PARP10ACACBHNF4A
SCHEMBL5049705 0.86 PARP10 (0.44) PARP10ALDH1A1MAPTMAPK1SIRT2
SCHEMBL5047199 0.84 BRD4 (0.35) ACACBALDH1A1MAPTMAPK1SIRT2
SCHEMBL5048419 0.83 ACACB (0.37) ACACBLMNA
SCHEMBL5047239 0.83 ACACB (0.37) ACACBALDH1A1MAPT
SCHEMBL5050793 0.83 BRD4 (0.37) ACACBMAPTLMNABRD4
SCHEMBL5049731 0.83 HDAC1 (0.37) HNF4A

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 claimed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed