SCHEMBL9857320

SCHEMBL9857320

c1ccc(COc2c(CC3CO3)cccc2C2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
HTR1A P08908 2/20 0.48
ALOX5AP P20292 8/20 0.46
FEN1 P39748 8/20 0.46
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5879473 0.85 TDP1 (0.42) SLC6A2SLC6A4SLC6A3HTR1APTGER4
SCHEMBL8976466 0.80 PTGER4 (0.51) HTR1APTGER4PTGER3PTGER2BCHE
SCHEMBL8732326 0.79 PTGER4 (0.42) SLC6A2SLC6A3HTR1APTGER4PTGER3
SCHEMBL8732315 0.79 PTGER4 (0.42) SLC6A2SLC6A3HTR1APTGER4PTGER3
SCHEMBL9857824 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL9857122 0.75 HTR1A (0.51) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL9857676 0.73 HTR1A (0.52) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL12670343 0.73 L3MBTL1 (0.36) HTR1AMAOBMEN1KMT2A
SCHEMBL9858085 0.73 PTPN5 (0.34) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL5879437 0.72 LMNA (0.40) PTGER4PTGER3PTGER2KDM1AMAOA

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-0301402-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed
US-4855323-A Leukotriene antagonists, a process for the preparation thereof, and the use thereof for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0301402-A1 Leukotriene antagonists, process for their preparation and their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed