SCHEMBL29409649

SCHEMBL29409649

CCOC(=O)C(=CNc1ccc(OC)c(OCCCOC)c1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.54
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
SMPD1 P17405 2/20 0.42

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
SCHEMBL22589544 1.00 DHODH (0.54) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL5295046 0.88 DHODH (0.65) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL22589557 0.88 DHODH (0.53) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL29409656 0.88 DHODH (0.53) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL22602175 0.87 ALDH1A1 (0.58) DHODHNPSR1MAPTKDM4EMEN1
SCHEMBL10862940 0.85 DHODH (0.53) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL10857938 0.85 DHODH (0.53) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL10861237 0.85 DHODH (0.53) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL10861060 0.83 DHODH (0.65) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL10860510 0.82 DHODH (0.54) DHODHNPSR1MAPTKDM4EMAPK1

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-3959197-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-03-02 EP disclosed