SCHEMBL11290193

SCHEMBL11290193

Cc1ccc(OCc2cc(C(CNC(C)(C)C)OS(C)(=O)=O)ccc2Oc2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
TBXA2R P21731 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
FFAR1 O14842 1/20 0.34
PMP22 Q01453 1/20 0.33
ADRB3 P13945 1/20 0.33
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL11283527 0.93 HTT (0.36) TBXA2RFFAR1ADRB3
SCHEMBL11285934 0.89 TBXA2R (0.35) SLC6A4HTR2AKCNH2TBXA2RSLC6A3
SCHEMBL11283323 0.87 TBXA2R (0.36) SLC6A4HTR2AKCNH2TBXA2RSLC6A3
SCHEMBL11290231 0.85 PMP22 (0.50) PMP22ADRB3MEN1KMT2A
SCHEMBL11280676 0.83 ALDH1A1 (0.36) SLC6A4HTR2AKCNH2TBXA2RFFAR1
SCHEMBL11287411 0.81 TBXA2R (0.37) TBXA2RADRB3KMT2AACHE
SCHEMBL11277075 0.81 TBXA2R (0.37) TBXA2RADRB3KMT2AACHE
SCHEMBL11290647 0.78 MAPT (0.38) SLC6A4HTR2AKCNH2TBXA2RSLC6A3
SCHEMBL11283535 0.78 PMP22 (0.45) TBXA2RPMP22ADRB3MEN1KMT2A
SCHEMBL11284482 0.78 TBXA2R (0.37) TBXA2RPMP22ADRB3KMT2A

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 3 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 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