SCHEMBL6506682

SCHEMBL6506682

CC(C)(Cc1cccc(CC(=O)O)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.59
ADRB1 P08588 2/20 0.49
ADRB3 P13945 1/20 0.45

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
SCHEMBL3914771 0.91 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL6506204 0.87 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL6509021 0.87 ADRB2 (0.54) ADRB2ADRB1ADRB3
SCHEMBL6507577 0.85 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL4388428 0.85 ADRB2 (0.81) ADRB2ADRB1
SCHEMBL4388423 0.85 ADRB2 (0.81) ADRB2ADRB1
SCHEMBL6533863 0.84 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL6529084 0.84 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL6531711 0.84 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL6533350 0.84 ADRB2 (0.60) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed