SCHEMBL5570979

SCHEMBL5570979

NC1=C(O)[CH]CC=C1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.37
MAPK14 Q16539 1/20 0.37
PARP10 Q53GL7 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL19411249 0.84 LMNA (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16151278 0.69 CYP1A2 (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4599507 0.69 MAOB (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8316680 0.60 MAOB (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL1903511 0.60 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL11272996 0.60 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL35631 0.60 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL6439510 0.60 LMNA (0.83) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL8450838 0.60 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8059557 0.60 LMNA (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-1789394-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 EP disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed