SCHEMBL3842572

SCHEMBL3842572

Oc1ccc(Cl)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.52
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
PIM1 P11309 1/20 0.49
IDO1 P14902 3/20 0.47
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
GYS1 P13807 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
ALOX5 P09917 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4445026 0.83 AHR (0.67) AHRTSHRHSD17B10ALDH1A1CYP3A4
SCHEMBL9441987 0.79 PIM1 (0.52) TSHRHSD17B10ALDH1A1CYP3A4PIM1
SCHEMBL9121522 0.79 AHR (0.56) AHRTSHRHSD17B10ALDH1A1CYP3A4
SCHEMBL6242615 0.78 HSD17B10 (0.62) TSHRHSD17B10ALDH1A1CYP3A4TDP1
SCHEMBL31093991 0.78 HSD17B10 (0.62) TSHRHSD17B10ALDH1A1CYP3A4TDP1
SCHEMBL5094107 0.78 ALOX5 (0.62) TSHRHSD17B10ALDH1A1TDP1TP53
SCHEMBL7723870 0.78 AHR (0.54) AHRHSD17B10ALDH1A1PIK3CAPIK3CD
SCHEMBL4447113 0.77 AHR (0.65) AHRTSHRHSD17B10ALDH1A1TP53
SCHEMBL15675199 0.77 BIRC5 (0.44) AHRPIK3CAPIK3CDGYS1PIK3CB
SCHEMBL5088969 0.77 KDM1A (0.51) AHRPIK3CAPIK3CDGYS1PIK3CB

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
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed