SCHEMBL3979829

SCHEMBL3979829

Oc1ccccc1-c1c(O)cccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
MAOA P21397 3/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 3/20 0.45
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOB P27338 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
BCL2L1 Q07817 1/20 0.44
P4HB P07237 2/20 0.44
KDM4E B2RXH2 4/20 0.42

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
SCHEMBL28011796 0.84 MAOA (0.48) CA2CA1CA7CA9MAOA
SCHEMBL17241893 0.84 MAOB (0.42) CA2CA1CA7CA9MAOA
SCHEMBL30832983 0.84 MAOB (0.42) CA2CA1CA7CA9MAOA
SCHEMBL8158462 0.84 ALDH1A1 (0.59) CA2CA1CA7CA9MAPT
SCHEMBL8158458 0.84 ALDH1A1 (0.54) CA2CA1CA7CA9MAOA
SCHEMBL20915105 0.84 MAOB (0.42) CA2CA1CA7CA9MAOA
SCHEMBL29837181 0.83 MAOA (0.56) CA2CA1CA7CA9MAOA
SCHEMBL2729251 0.83 MAOA (0.56) CA2CA1CA7CA9MAOA
SCHEMBL18174240 0.82 CYP1A2 (0.52) CA2CA1CA7CA9MAOA
SCHEMBL29992920 0.78 MAPT (0.43) CA2CA1CA7CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521016-B2 Pressurized gas introducing device, and injection molding method for moldings having hollow portion MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2009-04-21 US disclosed
US-20050226954-A1 Pressurized gas introducing device, and injection molding method for moldings having hollow portion MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2005-10-13 US disclosed
US-4532278-A Extruded polyolefin fiber containing aromatic bromine compound, dialkylsubstituted/hydroxybenzyl/isocyanurate HANCOCK HENRY 1985-07-30 US disclosed
US-3956403-A Brominated biphenols GENERAL ELECTRIC COMPANY (US) 1976-05-11 US disclosed