SCHEMBL6139859

SCHEMBL6139859

CC(=O)c1ccc(C2CCCC(C)(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HAO1 Q9UJM8 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
EPHX1 P07099 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DEGS1 O15121 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL6139569 0.80 L3MBTL1 (0.39) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL7143697 0.80 ESR2 (0.47) HDAC8HDAC6HDAC1HAO1KMT2A
SCHEMBL3148071 0.80 ESR2 (0.56) TRPA1ESR2
SCHEMBL469036 0.79 HDAC8 (0.61) HDAC8HDAC6HDAC1HAO1MEN1
SCHEMBL22299932 0.78 TRPA1 (0.49) TRPA1MEN1KMT2ARAB9ANPC1
SCHEMBL15081033 0.78 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1MEN1
SCHEMBL13445251 0.78 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1MEN1
SCHEMBL6822733 0.78 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1MEN1
SCHEMBL6822864 0.78 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1MEN1
SCHEMBL12337677 0.78 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed