SCHEMBL6238950

SCHEMBL6238950

CC(C)CC(C)COC(=O)c1cccc(-c2ccccc2)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.37
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7870038 0.87 SCN1A (0.41) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL7866643 0.84 SCN1A (0.45) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL7866640 0.83 SCN1A (0.42) ALDH1A1SCN1ASCN2ASCN3AMAPT
SCHEMBL7866670 0.83 TSHR (0.45) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL6238946 0.82 SCN1A (0.41) ALDH1A1SCN1ASCN2ASCN3AMAPT
SCHEMBL7868388 0.81 TSHR (0.47) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL7868391 0.81 SCN1A (0.43) ALDH1A1SCN1ASCN2ASCN3ANPSR1
SCHEMBL7868307 0.81 SCN1A (0.40) ALDH1A1SCN1ASCN2ASCN3AMAPT
SCHEMBL7866655 0.80 TSHR (0.43) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL7866652 0.79 SCN1A (0.39) ALDH1A1SCN1ASCN2ASCN3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889097-B1 PHTHALOCYANINE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND OPTICAL RECORDING MEDIUM MADE USING THE SAME NIPPON CATALYTIC CHEM IND (JP) 2005-06-29 EP disclosed
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
US-5998609-A OPTICAL RECORDING MEDIA NIPPON SHOKUBAI CO., LTD. (JP) 1999-12-07 US disclosed
EP-0889097-A1 PHTHALOCYANINE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND OPTICAL RECORDING MEDIUM MADE USING THE SAME NIPPON SHOKUBAI CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed