SCHEMBL7621068

SCHEMBL7621068

COc1ccc(C(=O)CCCCCCCCCCCC(Cl)(Cl)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.60
HDAC8 Q9BY41 4/20 0.58
HDAC1 Q13547 4/20 0.58
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MMP1 P03956 1/20 0.48
KMT2A Q03164 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL7615216 0.84 KMT2A (0.51) HDAC8HDAC1NPC1RAB9AMAPT
SCHEMBL4661439 0.82 L3MBTL1 (0.49) HDAC8HDAC1NPC1RAB9AMAPT
SCHEMBL3171960 0.82 PDE4B (0.79) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL7617783 0.81 PPARA (0.57) MAPTKMT2A
SCHEMBL3383941 0.81 PDE4B (0.90) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL3104200 0.81 PDE4B (0.90) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL7614064 0.80 ALOX5 (0.49) L3MBTL1TDP1ALOX15
SCHEMBL7142354 0.79 HDAC8 (0.68) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL2413943 0.79 PDE4B (0.93) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL4082864 0.78 PDE4B (0.86) PDE4BHDAC8HDAC1NPC1RAB9A

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-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 WO disclosed