SCHEMBL7979090

SCHEMBL7979090

COCCNc1nc(OCC2CCCO2)c(Oc2ccccc2OC)c(C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
PTK2 Q05397 2/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.39
AXL P30530 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL7979093 0.90 ALDH1A1 (0.47) ALDH1A1HPGDMAPTPTK2EDNRB
SCHEMBL7993983 0.87 PIK3CA (0.42) ALDH1A1MAPTIRAK4PTK2EDNRB
SCHEMBL7997001 0.82 EDNRA (0.51) IRAK4EDNRBEDNRA
SCHEMBL7996803 0.80 EDNRA (0.48) MAPTIRAK4EDNRBEDNRAPOLB
SCHEMBL7979128 0.78 MAPT (0.41) ALDH1A1HPGDMAPTIRAK4EDNRB
SCHEMBL7993990 0.78 RAB9A (0.44) ALDH1A1HPGDMAPTPTK2EDNRB
SCHEMBL7991472 0.78 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7991613 0.78 GPR84 (0.40) ALDH1A1MAPTIRAK4EDNRBEDNRA
SCHEMBL7997022 0.77 MAPT (0.41) ALDH1A1MAPTIRAK4PTK2EDNRB
SCHEMBL7979428 0.77 PLK1 (0.42) ALDH1A1HPGDMAPTIRAK4EDNRB

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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed