SCHEMBL9740276

SCHEMBL9740276

Cc1cccc(OCCCN2CCCCC2COS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
SPHK1 Q9NYA1 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SPHK2 Q9NRA0 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARD Q03181 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9740308 0.90 KDM4E (0.51) SPHK1KDM4ESPHK2ALDH1A1PPARD
SCHEMBL9739559 0.85 POLB (0.46) SPHK1ALDH1A1MAPTMEN1HRH3
SCHEMBL9740178 0.81 HRH3 (0.48) SPHK1ALDH1A1MAPTKMT2AHRH3
SCHEMBL9211609 0.80 KDM4E (0.55) HTR1AHTR7L3MBTL1KDM4EALDH1A1
SCHEMBL9741170 0.76 FAAH (0.52) SPHK1SPHK2
SCHEMBL11448054 0.72 KDM4E (0.59) L3MBTL1KDM4EHRH3
SCHEMBL9740303 0.71 HRH3 (0.60) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7249465 0.71 CHRNB4 (0.49) L3MBTL1ALDH1A1HRH3NPC1RAB9A
SCHEMBL7247932 0.71 LTA4H (0.67) HTR1AHRH3
SCHEMBL7039538 0.71 HTR7 (0.59) HTR1AHTR7TP53

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