SCHEMBL6139569

SCHEMBL6139569

CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HSD17B1 P14061 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 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
SCHEMBL17249901 0.85 MAPK1 (0.41) L3MBTL1MAPK1HPGDMAPTLMNA
SCHEMBL6139859 0.80 TRPA1 (0.46) L3MBTL1MAPK1HPGDMAPTLMNA
SCHEMBL7143697 0.79 ESR2 (0.47) L3MBTL1MAPK1HPGDMAPTLMNA
SCHEMBL3138855 0.77 ESR2 (0.53)
SCHEMBL3222423 0.77 HDAC8 (0.50) L3MBTL1HPGDMAPTLMNARAB9A
SCHEMBL6139740 0.74 CHRNA1 (0.42) MAPTRAB9AKMT2AEPHX2SMN1; SMN2
SCHEMBL469036 0.73 HDAC8 (0.61) L3MBTL1HPGDMAPTLMNARAB9A
SCHEMBL6508796 0.73 ATP1A1 (0.37) NOS3NOS1
SCHEMBL6822864 0.72 HDAC8 (0.59) L3MBTL1MAPTLMNARAB9AKMT2A
SCHEMBL13445251 0.72 HDAC8 (0.59) L3MBTL1MAPTLMNARAB9AKMT2A

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