SCHEMBL28487589

SCHEMBL28487589

COc1cc(C2CCC2)cc(OC)c1OC(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
SIRT5 Q9NXA8 1/20 0.42
HPGD P15428 4/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
PTAFR P25105 2/20 0.38
QDPR P09417 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 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
SCHEMBL28479794 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28486348 0.79 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28491679 0.76 PDGFRB (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28487133 0.76 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28479970 0.76 L3MBTL1 (0.54) HPGDHTTKMT2ASMN1; SMN2TDP1
SCHEMBL28479820 0.75 KMT2A (0.45) HPGDHTTKMT2ASMN1; SMN2TDP1
SCHEMBL29267402 0.70 PTAFR (0.62) KMT2AMAPTTSHRPTAFRTUBB4A
SCHEMBL14641983 0.70 ERN1 (0.43) PDE4BPDE4APDE4CPDE4DTDP1
Bicarbonate SCHEMBL9574485 0.70 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL20789986 0.70 PDGFRB (0.42) PDE4BPDE4APDE4CPDE4DPTAFR

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
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed