SCHEMBL11284062

SCHEMBL11284062

Cc1ccc(Oc2ccc(C(CNC(C)C)OS(C)(=O)=O)cc2Oc2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.36
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
TBXA2R P21731 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC22A3 O75751 1/20 0.33

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
SCHEMBL11278858 0.88 SLC6A4 (0.40) ADRB2TBXA2RLMNAMMP2MMP9
SCHEMBL11283323 0.85 TBXA2R (0.36) ADRB3TBXA2RMMP2MMP9HTR2A
SCHEMBL11287791 0.83 AR (0.35) TBXA2RMMP2MMP9HTR2ASLC6A4
SCHEMBL11284068 0.82 ADRB3 (0.51) ADRB3ADRB2ADRB1LMNAKDM4E
SCHEMBL11284864 0.80 ADRB2 (0.37) ADRB3ADRB2ADRB1TBXA2RLMNA
Alcohol SCHEMBL11558568 0.78 ADRB2 (0.41) ADRB3ADRB2ADRB1LMNAKDM4E
SCHEMBL11284063 0.78 TBXA2R (0.38) ADRB3ADRB2ADRB1TBXA2RLMNA
SCHEMBL11277192 0.78 MAPT (0.39) ADRB3ADRB2ADRB1TBXA2RHTR2A
SCHEMBL11526874 0.78 SLC22A3 (0.56) ADRB3ADRB2ADRB1LMNAKDM4E
SCHEMBL11287411 0.77 TBXA2R (0.37) ADRB3ADRB2TBXA2RLMNAKMT2A

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