SCHEMBL9858085

SCHEMBL9858085

Oc1c(CC2CO2)cccc1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.34
PTPN2 P17706 1/20 0.34
NAAA Q02083 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
FEN1 P39748 3/20 0.32
CEL P19835 2/20 0.32
ALOX5AP P20292 2/20 0.31
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
OPRL1 P41146 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL5437476 0.81 GABRA1 (0.43)
SCHEMBL11598412 0.80 PTPN5 (0.39) PTPN5PTPN2NAAAPTGDR2FEN1
SCHEMBL4058553 0.78 PTGDR2 (0.41) PTPN5PTPN2NAAAPTGDR2FEN1
SCHEMBL8022072 0.77 GABRA1 (0.55) PTPN5PTPN2NAAAPTGDR2HDAC4
SCHEMBL2916746 0.76 GABRA1 (0.53) PTPN5PTPN2NAAAPTGDR2FEN1
SCHEMBL1385528 0.76 PTGDR2 (0.39) PTPN5PTPN2NAAAPTGDR2FEN1
SCHEMBL10772495 0.76 GABRA1 (0.53) PTPN5PTPN2NAAAPTGDR2FEN1
SCHEMBL4960831 0.75 PTPN5 (0.44) PTPN5PTPN2PTGDR2FEN1CEL
SCHEMBL8976185 0.75 ALDH1A1 (0.46)
SCHEMBL5795157 0.73 CA2 (0.37)

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