SCHEMBL14964490

SCHEMBL14964490

CCCCOCCOc1cc(C)c(C#Cc2ccc(C#N)c(C#N)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
ACACB O00763 1/20 0.38
RARB P10826 2/20 0.38
MAPT P10636 1/20 0.37
AR P10275 1/20 0.37
APP P05067 7/20 0.36
RARA P10276 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14964492 0.88 AR (0.44) HPGDACACBRARBARAPP
SCHEMBL14964491 0.88 RARB (0.42) HPGDKDM4EACACBRARBAR
SCHEMBL14964489 0.81 KDM4E (0.42) HPGDKDM4EGAARARBMAPT
SCHEMBL14964551 0.80 RARB (0.42) HPGDKDM4EGAARARBMAPT
SCHEMBL15087654 0.77 AR (0.38) HPGDACACBRARBARAPP
SCHEMBL12478420 0.76 SMN1; SMN2 (0.52) HPGDKDM4ERARBMAPTAPP
SCHEMBL12477629 0.76 MAPT (0.41) KDM4EACACBMAPTAPPALDH1A1
SCHEMBL15079420 0.74 RARB (0.40) HPGDKDM4EGAARARBMAPT
SCHEMBL14964553 0.74 AR (0.45) HPGDRARBMAPTARRARA
SCHEMBL14164723 0.73 HPGD (0.45) HPGDKDM4EGAAACACBMAPT

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 3 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-20130163086-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES NITTO DENKO CORPORATION (JP) 2013-06-27 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