SCHEMBL29549014

SCHEMBL29549014

C=CC(=O)OCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCOC(=O)C=C)ccc2cc(F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.41
CES2 O00748 1/20 0.37
FAAH O00519 5/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PGR P06401 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD3 P35462 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL17825875 0.91 NCEH1 (0.47) NCEH1CES2FAAHTHRBKDM4E
SCHEMBL20484007 0.87 NCEH1 (0.44) NCEH1CES2FAAHTHRBKDM4E
SCHEMBL19712899 0.85 NCEH1 (0.42) NCEH1CES2FAAHKDM4EALDH1A1
SCHEMBL29549028 0.84 NCEH1 (0.60) NCEH1FAAHTHRBHPGDGAA
SCHEMBL19712926 0.84 NCEH1 (0.60) NCEH1FAAHTHRBHPGDGAA
SCHEMBL29549149 0.83 ALDH1A1 (0.45) NCEH1KDM4EALDH1A1HPGDMAPT
SCHEMBL29549156 0.83 NCEH1 (0.43) NCEH1CES2FAAHTHRBKDM4E
SCHEMBL19712930 0.83 NCEH1 (0.43) NCEH1CES2FAAHTHRBKDM4E
SCHEMBL19712902 0.83 ALDH1A1 (0.45) NCEH1KDM4EALDH1A1HPGDMAPT
SCHEMBL29549016 0.82 NCEH1 (0.55) NCEH1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3622511-B1 HOLOGRAPHIC MEDIUM CONTAINING A PHOTOPOLYMERIC COATING FOR HOLOGRAPHIC EXPOSURE AND A LACQUER LAYER WITH HIGH RESISTANCE COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-04-27 EP disclosed
EP-3622512-B1 FILM STRUCTURE COMPRISING A PHOTOPOLYMER COATING FOR HOLOGRAPHIC EXPOSURE AND A LACQUER LAYER WITH HIGH RESISTANCE COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-04-27 EP disclosed