SCHEMBL20198238

SCHEMBL20198238

Cc1ccc(P(=O)(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc42)c2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
PDK2 Q15119 3/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
ELANE P08246 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33
HTT P42858 1/20 0.33
PGR P06401 1/20 0.32

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
SCHEMBL20198263 1.00 HPGD (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL4402341 1.00 HPGD (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL4400942 1.00 HPGD (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL18568543 0.97 PDK2 (0.41) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL20198220 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL12336787 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL20198278 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL4402995 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL4401118 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB
SCHEMBL12337055 0.96 PDK2 (0.42) HPGDPDK2MAPTKDM4EPOLB

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
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed