SCHEMBL7779239

SCHEMBL7779239

CC(=O)[AsH]c1ccc2[nH]c3cc(OCCNCC(O)c4ccccc4)ccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ADRB3 P13945 15/20 0.45
ADRB1 P08588 5/20 0.45
ADRA1A P35348 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 1/20 0.39

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
SCHEMBL7070541 0.85 MTNR1A (0.51) ALOX15ADRB3ADRB1ADRA1ASMN1; SMN2
SCHEMBL6905931 0.84 ALOX15 (0.54) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL6912318 0.84 ALOX15 (0.54) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL6912018 0.84 ALOX15 (0.54) ALOX15ADRB3ADRB1ADRA1AALDH1A1
Hydrochloric Acid SCHEMBL7111563 0.83 ALOX15 (0.56) ALOX15ADRB3ADRB1ADRA1AALDH1A1
Hydrochloric Acid SCHEMBL7113305 0.83 ALOX15 (0.56) ALOX15ADRB3ADRB1ADRA1AALDH1A1
Hydrochloric Acid SCHEMBL7108157 0.83 ALOX15 (0.56) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7072936 0.82 ALOX15 (0.48) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL6914729 0.77 ALOX15 (0.46) ALOX15ADRB3ADRB1ADRA1AKDM4E
SCHEMBL7108272 0.77 ALOX15 (0.46) ALOX15ADRB3ADRB1ADRA1AKDM4E

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-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed