SCHEMBL5145221

SCHEMBL5145221

CCCCCCCCCCCCCCCCCC(=O)OCc1cc(C(O)CNC(C)(C)C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.56
HIF1A Q16665 3/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
ADRB1 P08588 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
PMP22 Q01453 1/20 0.54
LMNA P02545 2/20 0.42
CASP7 P55210 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
ELANE P08246 2/20 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
SCHEMBL7775809 1.00 ADRB2 (0.56) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL7778381 1.00 ADRB2 (0.56) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL6258012 0.94 ADRB2 (0.50) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL14141543 0.84 ADRB2 (0.62) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL6264326 0.83 ADRB2 (0.51) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL2966767 0.83 ADRB2 (0.51) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL6838978 0.82 ADRB2 (0.66) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL12158793 0.82 ADRB2 (0.66) ADRB2HIF1ATSHRCYP1A2CYP2D6
Stearic Acid SCHEMBL5145217 0.82 ADRB2 (0.70) ADRB2HIF1ATSHRCYP1A2CYP2D6
Albuterol SCHEMBL7778379 0.82 ADRB2 (0.70) ADRB2HIF1ATSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001508027-A 2001-06-19 JP claimed
EP-1024833-A1 Pharmaceutical composition containing acid addition salt of basic drug FARMARC NEDERLAND B.V. (NL) 2000-08-09 EP claimed
CN-1230123-A Inclusion complex containing indole selective serotonin agonist FARMARC NEDERLAND BV (NL) 1999-09-29 CN claimed
WO-1998002187-A1 PHARMACEUTICAL COMPOSITION CONTAINING ACID ADDITION SALT OF BASIC DRUG FARMARC NEDERLAND B.V. (NL) 1998-01-22 WO claimed
US-20070053843-A1 Inhalable pharmaceutical formulations employing lactose anhydrate and methods of administering the same GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
EP-1686960-A4 INHALABLE PHARMACEUTICAL FORMULATIONS EMPLOYING LACTOSE ANHYDRATE AND METHODS OF ADMINISTERING THE SAME GLAXO GROUP LTD (GB) 2007-03-07 EP disclosed
WO-2006124556-A2 INHALABLE PHARMACEUTICAL FORMULATIONS EMPLOYING LACTOSE ANHYDRATE AND METHODS OF ADMINISTERING THE SAME GLAXO GROUP LIMITED (GB) 2006-11-23 WO disclosed
EP-1686960-A2 INHALABLE PHARMACEUTICAL FORMULATIONS EMPLOYING LACTOSE ANHYDRATE AND METHODS OF ADMINISTERING THE SAME GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
EP-1588698-A2 A process for the production and screening of materials for use in pharmaceutical aerosol formulations Thompson, James Anthony (GB) 2005-10-26 EP disclosed
WO-2005044187-A2 INHALABLE PHARMACEUTICAL FORMULATIONS EMPLOYING LACTOSE ANHYDRATE AND METHODS OF ADMINISTERING THE SAME GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed
WO-2005044186-A2 INHALABLE PHARMACEUTICAL FORMULATIONS EMPLOYING DESICCATING AGENTS AND METHODS OF ADMINISTERING THE SAME GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed
EP-1024833-A1 Pharmaceutical composition containing acid addition salt of basic drug FARMARC NEDERLAND B.V. (NL) 2000-08-09 EP disclosed
CN-1230123-A Inclusion complex containing indole selective serotonin agonist FARMARC NEDERLAND BV (NL) 1999-09-29 CN disclosed
WO-1998002187-A1 PHARMACEUTICAL COMPOSITION CONTAINING ACID ADDITION SALT OF BASIC DRUG FARMARC NEDERLAND B.V. (NL) 1998-01-22 WO disclosed