SCHEMBL11286385

SCHEMBL11286385

Cc1ccc(C(=O)Oc2ccc(C(CNC(C)(C)C)OS(C)(=O)=O)cc2OC(=O)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.39
ADRB1 P08588 4/20 0.39
ADRB3 P13945 4/20 0.39
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
ROCK2 O75116 1/20 0.35
HPGD P15428 2/20 0.35
ACHE P22303 1/20 0.35
ROCK1 Q13464 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11284971 0.92 ACHE (0.37) ADRB2ADRB1ADRB3LMNAALDH1A1
Alcohol SCHEMBL11559195 0.87 KMT2A (0.39) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11286407 0.86 LMNA (0.47) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11284114 0.85 ACHE (0.38) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11282470 0.85 ADRB2 (0.38) ADRB2ADRB1ADRB3LMNAALDH1A1
Alcohol SCHEMBL11558382 0.84 CCR5 (0.39) ADRB2LMNAALDH1A1CYP3A4HIF1A
Alcohol SCHEMBL11558491 0.84 MAPT (0.39) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11282665 0.83 LMNA (0.35) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11286395 0.82 ADRB2 (0.39) ADRB2ADRB1ADRB3LMNAALDH1A1
Alcohol SCHEMBL11561438 0.82 ADRB2 (0.48) ADRB2ADRB1ADRB3LMNACYP3A4

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