SCHEMBL3915570

SCHEMBL3915570

CCCC(=O)c1ccc(OC)cc1.CCCCC(=O)c1ccc(OC)cc1.O=C(CCCCl)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS2 P35354 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC1 Q13547 3/20 0.49
STS P08842 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HSD17B3 P37058 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL319315 0.86 PDE4B (0.70) PDE4BNPC1RAB9AKMT2AMAPT
SCHEMBL4530719 0.84 PDE4B (0.72) PDE4BNPC1RAB9AMAPTL3MBTL1
SCHEMBL3915567 0.83 PDE4B (0.59) PDE4BNPC1RAB9AKMT2AMAPT
SCHEMBL3738802 0.81 PDE4B (0.68) PDE4BNPC1RAB9AKMT2AMAPT
Butane SCHEMBL27573434 0.81 L3MBTL1 (0.62) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL705208 0.81 MAPT (0.68) PDE4BNPC1RAB9AMAPTL3MBTL1
SCHEMBL7142354 0.80 HDAC8 (0.68) PDE4BNPC1RAB9AKMT2AMAPT
SCHEMBL11705672 0.80 L3MBTL1 (0.76) NPC1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL1304627 0.80 PDE4B (0.70) PDE4BNPC1RAB9AMAPTL3MBTL1
SCHEMBL4483889 0.80 NPC1 (0.77) PDE4BNPC1RAB9AKMT2AMAPT

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