SCHEMBL3915567

SCHEMBL3915567

CCCC(=O)c1ccc(Cl)cc1.CCCC(=O)c1ccc(OC)cc1.CCCCC(=O)c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.59
HPGD P15428 1/20 0.57
HDAC8 Q9BY41 3/20 0.54
HDAC1 Q13547 3/20 0.54
STS P08842 1/20 0.54
SOD1 P00441 1/20 0.53
HSD17B3 P37058 1/20 0.53
MAPT P10636 1/20 0.53
KCNH2 Q12809 1/20 0.52
HTR7 P34969 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL4530719 0.89 PDE4B (0.72) PDE4BHDAC8HDAC1STSHSD17B3
SCHEMBL28750318 0.86 MMP1 (0.61) STSHSD17B3HTR7L3MBTL1NPC1
SCHEMBL1356249 0.86 HSD17B3 (0.69) HPGDHDAC1STSHSD17B3HTR7
SCHEMBL705208 0.86 MAPT (0.68) PDE4BHPGDHDAC8HDAC1STS
SCHEMBL1304627 0.84 PDE4B (0.70) PDE4BHDAC8HDAC1STSHSD17B3
SCHEMBL3915570 0.83 PDE4B (0.57) PDE4BHPGDHDAC8HDAC1STS
SCHEMBL9522917 0.83 HDAC8 (0.69) PDE4BHDAC8HDAC1STSHSD17B3
SCHEMBL9520347 0.83 HDAC8 (0.69) PDE4BHDAC8HDAC1STSHSD17B3
SCHEMBL12016810 0.83 HDAC8 (0.69) PDE4BHDAC8HDAC1STSHSD17B3
SCHEMBL10865339 0.83 HDAC8 (0.69) PDE4BHDAC8HDAC1STSHSD17B3

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-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 WO disclosed