SCHEMBL7906452

SCHEMBL7906452

COc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
MAPK1 P28482 1/20 0.50
AHR P35869 1/20 0.50
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
HTR2A P28223 4/20 0.41
SLC6A4 P31645 4/20 0.41

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
SCHEMBL12325069 0.91 HSP90AA1 (0.56) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL14055298 0.80 HSP90AA1 (0.55) HSP90AA1HSP90AB1MAPK1MEN1MAPT
SCHEMBL1145316 0.80 SLC6A4 (0.54) HSP90AA1HSP90AB1CYP1A2HTR2ASLC6A4
SCHEMBL29768449 0.80 SLC6A4 (0.54) HSP90AA1HSP90AB1CYP1A2HTR2ASLC6A4
SCHEMBL19785375 0.78 HSP90AA1 (0.56) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL9732916 0.76 CYP2A6 (0.50) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL31345280 0.76 GPR3 (0.45) HSP90AA1HSP90AB1MAPK1MEN1MAPT
SCHEMBL30629141 0.76 NPC1 (0.50) HSP90AA1HSP90AB1MAPK1MEN1MAPT
SCHEMBL9026003 0.76 GPR3 (0.45) HSP90AA1HSP90AB1MAPK1MEN1KMT2A
SCHEMBL25359303 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1AHRMEN1MAPT

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
US-6204005-B1 ACCURATE AND SENSITIVE QUALITATIVE OR QUANTITATIVE ANALYSIS BY INCUBATING ANTIBODIES AND COMPETITOR OF DEFINED STRUCTURE IN PRESENCE OF TEST SAMPLE, THEN DETECTING CONGENER ECOCHEM RESEARCH, INC. 2001-03-20 US disclosed
US-5538852-A QUALITATIVE OR QUANTITATIVE ANALYSIS WITH COMPETITORS AND ANTIBODIES ECOCHEM RESEARCH, INC. (US) 1996-07-23 US disclosed