SCHEMBL11280908

SCHEMBL11280908

CC(C)(C)NCC(O)c1ccc(OC(=O)C(C)(C)C)c(OS(C)(=O)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
HIF1A Q16665 3/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADRB2 P07550 4/20 0.63
PMP22 Q01453 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11275258 0.90 LMNA (0.78) LMNAHIF1AALDH1A1CYP3A4ADRB2
Hydrochloric Acid SCHEMBL11275253 0.89 ADRB2 (0.79) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11287921 0.88 LMNA (0.50) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11289785 0.87 LMNA (0.48) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11277423 0.86 LMNA (0.47) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11280916 0.86 HIF1A (0.58) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11283474 0.85 LMNA (0.46) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11279956 0.82 HIF1A (0.54) LMNAHIF1AALDH1A1CYP3A4ADRB2
Hydrochloric Acid SCHEMBL11289468 0.82 ADRB2 (0.67) LMNAHIF1AALDH1A1CYP3A4ADRB2
SCHEMBL11282273 0.80 PMP22 (0.46) LMNAHIF1AADRB2PMP22KDM4E

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
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US claimed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed