SCHEMBL9857676

SCHEMBL9857676

OCC1OC1c1cccc(C2CCCC2)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 3/20 0.52
ALOX5AP P20292 10/20 0.47
FEN1 P39748 10/20 0.47
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9857580 0.88 HTR1A (0.39) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL10506177 0.87 SPHK2 (0.43) HTR1ASLC6A2SLC6A4SLC6A3SPHK2
SCHEMBL9857150 0.83 FEN1 (0.48) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL9857615 0.79 HTR1D (0.40) ALOX5APFEN1PTGDR2
SCHEMBL9857604 0.78 HTR1D (0.39)
SCHEMBL9857851 0.78 HTR1D (0.39)
SCHEMBL9857677 0.78 HTR1D (0.39)
SCHEMBL9857757 0.75 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL9857746 0.75 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL9857810 0.75 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3

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
EP-0301401-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION, THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-27 EP disclosed
US-4851440-A ASTHMA HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed