SCHEMBL14964489

SCHEMBL14964489

CCCCOCCOc1cc(C)c(C#Cc2cc(F)c(C#N)c(F)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RARB P10826 3/20 0.41
RARA P10276 1/20 0.41
TSHR P16473 1/20 0.38
APP P05067 7/20 0.35
MGAT2 Q10469 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 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
SCHEMBL15079420 0.92 RARB (0.40) KDM4EGAAHPGDRARBRARA
SCHEMBL142121 0.92 RARB (0.44) KDM4EGAAHPGDRARBRARA
SCHEMBL19462692 0.89 HPGD (0.42) KDM4EGAAHPGDTSHRMAPT
SCHEMBL142273 0.88 APP (0.34) KDM4EGAAHPGDAPPMGAT2
SCHEMBL12477887 0.88 RARB (0.47) KDM4EGAAHPGDRARBRARA
SCHEMBL14964488 0.86 RARB (0.42) KDM4EGAAHPGDRARBRARA
SCHEMBL14964552 0.84 RARB (0.44) KDM4EGAAHPGDRARBRARA
SCHEMBL30933438 0.81 MAPT (0.42) KDM4EGAAHPGDRARBRARA
SCHEMBL14964490 0.81 HPGD (0.42) KDM4EGAAHPGDRARBRARA
SCHEMBL141701 0.80 RARB (0.58) KDM4EGAAHPGDRARBRARA

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
US-20130170016-A1 PHOTOREFRACTIVE DEVICE CONTAINING A CHROMOPHORE-DOPED POLYMER LAYER AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2013-07-04 US disclosed
US-20130128339-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2013-05-23 US disclosed