SCHEMBL7869306

SCHEMBL7869306

CCOc1cccc(C(=O)OC(C)OC)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADRB1 P08588 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
PDE10A Q9Y233 5/20 0.32
CYP2C9 P11712 2/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL7870153 0.90 KDM4E (0.38) RXFP1CYP2C9KDM4EALDH1A1GAA
SCHEMBL7870111 0.89 MEN1 (0.33) KDM4EMEN1KMT2A
SCHEMBL7866694 0.85 MEN1 (0.33) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL7869311 0.83 TSHR (0.42) HCRTR1HCRTR2RXFP1CYP2C9KDM4E
SCHEMBL7868307 0.81 SCN1A (0.40) GRIA2GRIA4KDM4EALDH1A1GAA
SCHEMBL7869035 0.81 MEN1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL7866652 0.78 SCN1A (0.39) GRIA2GRIA4KDM4EALDH1A1GAA
SCHEMBL7861764 0.75 KMT2A (0.39) CYP2C9KDM4EALDH1A1LMNAPOLB
SCHEMBL7870116 0.73 TSHR (0.45) RXFP1KDM4EALDH1A1HPGDLMNA
SCHEMBL7869301 0.73 TSHR (0.43) CYP2C9KDM4EALDH1A1GAAPOLB

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
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
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed