SCHEMBL9739559

SCHEMBL9739559

COc1ccc(OCCCN2CCCCC2COS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 5/20 0.46
LTA4H P09960 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HRH1 P35367 2/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HRH2 P25021 1/20 0.44
FKBP1A P62942 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL9740178 0.97 HRH3 (0.48) POLBMAPTHRH3LTA4HSPHK1
SCHEMBL9740308 0.91 KDM4E (0.51) HRH3SPHK1MAOAMAOBALDH1A1
SCHEMBL9740276 0.85 HTR1A (0.52) MAPTHRH3SPHK1MEN1ALDH1A1
SCHEMBL9739334 0.83 TRPV6 (0.59) POLBHRH3FKBP1AALDH1A1
SCHEMBL9741170 0.81 FAAH (0.52) LTA4HSPHK1ADRA1AADRA1B
SCHEMBL9739552 0.80 CHRNB2 (0.57) POLBMAPTHRH3HRH1HRH2
SCHEMBL9208504 0.80 HRH2 (0.49) POLBMAPTHRH3LTA4HHRH1
SCHEMBL7247932 0.75 LTA4H (0.67) HRH3LTA4H
SCHEMBL7249465 0.73 CHRNB4 (0.49) HRH3LTA4HMAOBHRH1HRH2
SCHEMBL9739220 0.73 HRH3 (0.52) POLBMAPTHRH3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed