SCHEMBL6139565

SCHEMBL6139565

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B1 P14061 1/20 0.38
NPC1 O15118 3/20 0.37
GRIN2B Q13224 1/20 0.37
HTT P42858 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6139900 0.83 L3MBTL1 (0.36) L3MBTL1MAPK1MAPTHPGDRAB9A
SCHEMBL7139837 0.81 L3MBTL1 (0.40) L3MBTL1MAPK1MAPTHPGDRAB9A
SCHEMBL9754888 0.75 ALDH1A1 (0.43) GRIN2BPOLBALDH1A1
SCHEMBL23691951 0.74 HPGD (0.52) L3MBTL1MAPK1MAPTHPGDRAB9A
SCHEMBL11467643 0.74 OPRL1 (0.47) KMT2ASMN1; SMN2GRIN2BPOLB
SCHEMBL12208873 0.73 L3MBTL1 (0.39) L3MBTL1MAPK1MAPTHPGDRAB9A
SCHEMBL18291832 0.72 MAPK1 (0.45) L3MBTL1MAPK1MAPTHPGDRAB9A
SCHEMBL15156029 0.71 L3MBTL1 (0.41) L3MBTL1MAPTHPGDRAB9ALMNA
SCHEMBL6263031 0.71 GRIN2B (0.30) GRIN2B
SCHEMBL12208871 0.70 POLB (0.41) L3MBTL1MAPTHPGDRAB9ALMNA

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