SCHEMBL11264231

SCHEMBL11264231

CC(C)(C)NCC(O)c1cc(O)cc(NC(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.66
▸ ADRB2 P07550 4/20 0.66
▸ HIF1A Q16665 3/20 0.66
▸ TSHR P16473 3/20 0.66
▸ CASP7 P55210 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ KDM4E B2RXH2 2/20 0.62
▸ CASP1 P29466 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ ADRB1 P08588 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
Terbutaline SCHEMBL4391 0.81 LMNA (1.00) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL41869 0.81 LMNA (1.00) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL13327959 0.81 LMNA (1.00) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL11703058 0.79 ADRB2 (0.96) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL404480 0.79 ADRB2 (0.96) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL16553265 0.79 LMNA (0.81) LMNAADRB2HIF1ATSHRCASP7
SCHEMBL11269803 0.78 ADRB2 (0.49) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL28876660 0.77 LMNA (0.79) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL27361880 0.77 ADRB2 (0.79) LMNAADRB2HIF1ATSHRCASP7
Terbutaline SCHEMBL26462 0.77 LMNA (1.00) LMNAADRB2HIF1ATSHRCASP7

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
US-4337272-A BRONCHODILATOR AGENTS VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1982-06-29 — — US disclosed
US-4252824-A BRONCHODILATOR AGENTS VALEAS S.R.L., INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-02-24 — — US disclosed
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