SCHEMBL4122824

SCHEMBL4122824

CC(C)CNCC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.71
ADRB1 P08588 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 1/20 0.63
PMP22 Q01453 1/20 0.58
ADRA1D P25100 1/20 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
SCHEMBL15677514 0.86 ADRB2 (0.73) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4847807 0.84 MAPT (0.68) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14220132 0.84 ADRB2 (0.78) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10232110 0.83 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL8280495 0.83 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL28165793 0.83 MAPT (0.69) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL20285625 0.83 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4869352 0.82 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL11744855 0.82 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL7724542 0.82 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR

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
EP-0308157-A2 Therapeutic applications of beta-adrenergic agonists The Rowett Research Institute (GB) 1989-03-22 EP claimed
US-20090047336-A1 NOVEL FORMULATION OF DEHYDRATED LIPID VESICLES FOR CONTROLLED RELEASE OF ACTIVE PHARMACEUTICAL INGREDIENT VIA INHALATION HONG KONG BAPTIST UNIVERSITY (CN) 2009-02-19 US disclosed
EP-0370632-B1 PHARMACEUTICAL SOLUTION CONTAINING SALBUTAMOL AND CROMOGLYCIC ACID FISONS plc (GB) 1992-07-29 EP disclosed
EP-0370632-A1 Pharmaceutical solution containing salbutamol and cromoglycic acid FISONS plc (GB) 1990-05-30 EP disclosed