SCHEMBL7870153

SCHEMBL7870153

COc1cccc(C(=O)OC(C)OC)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
ACMSD Q8TDX5 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 2/20 0.33
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
AR P10275 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
SCHEMBL7870111 0.92 MEN1 (0.33) KDM4EKMT2AMEN1NPC1
SCHEMBL7869306 0.90 HCRTR1 (0.35) KDM4EALDH1A1TSHRRXFP1KMT2A
SCHEMBL7866694 0.88 MEN1 (0.33) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7868307 0.85 SCN1A (0.40) KDM4EALDH1A1KMT2APOLBGAA
SCHEMBL7869035 0.84 MEN1 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL7866652 0.81 SCN1A (0.39) KDM4EALDH1A1KMT2APOLBGAA
SCHEMBL7870116 0.81 TSHR (0.45) KDM4EALDH1A1TSHRRXFP1KMT2A
SCHEMBL7870109 0.79 AR (0.45) KDM4EALDH1A1TSHRPOLBGAA
SCHEMBL7861764 0.78 KMT2A (0.39) KDM4EALDH1A1TSHRKMT2APOLB
SCHEMBL7866640 0.74 SCN1A (0.42) KDM4EALDH1A1KMT2APOLBMEN1

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