SCHEMBL157100

SCHEMBL157100

COc1ccc(C(=O)c2ccccc2)c(I)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.69
ALDH1A1 P00352 4/20 0.69
LMNA P02545 4/20 0.69
MAPK1 P28482 3/20 0.69
CYP1A2 P05177 3/20 0.69
HPGD P15428 3/20 0.69
PGR P06401 2/20 0.69
SLC6A2 P23975 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2D6 P10635 1/20 0.69
PDE4A P27815 1/20 0.69
HRH1 P35367 1/20 0.69
SLC6A3 Q01959 1/20 0.69
PDE4D Q08499 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 2/20 0.55

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
SCHEMBL30205105 0.82 NPC1 (0.81) HTTALDH1A1LMNAMAPK1CYP1A2
Oxybenzone SCHEMBL29355332 0.82 HPGD (1.00) HTTALDH1A1LMNAMAPK1CYP1A2
Oxybenzone SCHEMBL6674080 0.82 HPGD (1.00) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL3480945 0.82 ALDH1A1 (0.71) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL3224251 0.82 NPC1 (0.81) HTTALDH1A1LMNAMAPK1CYP1A2
Oxybenzone SCHEMBL15551 0.82 HPGD (1.00) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL699230 0.82 ALDH1A1 (0.71) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL2945284 0.82 CYP1A2 (0.71) HTTALDH1A1LMNAMAPK1CYP1A2
Oxybenzone SCHEMBL5161586 0.82 HPGD (1.00) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL10397387 0.82 HTT (0.71) HTTALDH1A1LMNAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2427431-A1 NOVEL INDICATOR PLATFORM Biosynth AG (CH) 2012-03-14 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed