SCHEMBL8623713

SCHEMBL8623713

CCOCCOc1ccc(OCCOCC)c(C#N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.40
FDPS P14324 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
IDH1 O75874 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL29760560 0.82 ALDH1A1 (0.38) NCF1FDPSL3MBTL1IDH1ALDH1A1
SCHEMBL7864724 0.82 ALDH1A1 (0.44) FDPSALDH1A1HPGDMAPTKDM4E
SCHEMBL9929711 0.81 MEN1 (0.42) L3MBTL1ALDH1A1HPGDMAPTNPSR1
SCHEMBL2416585 0.81 NCF1 (0.48) NCF1L3MBTL1ALDH1A1LMNA
SCHEMBL7050071 0.80 HPGD (0.46) L3MBTL1ALDH1A1HPGDMAPTNPSR1
SCHEMBL8044771 0.80 FDPS (0.44) FDPSALDH1A1MAPTNPSR1HSD17B10
SCHEMBL29837403 0.80 HPGD (0.46) L3MBTL1ALDH1A1HPGDMAPTNPSR1
SCHEMBL27784329 0.78 NCF1 (0.34) NCF1IDH1ALDH1A1MAPTNPSR1
SCHEMBL10829149 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1HPGDMAPTKDM4E
SCHEMBL8643954 0.76 ALDH1A1 (0.40) FDPSALDH1A1HPGDMAPTKDM4E

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
JP-10046040-A None JP disclosed
JP-H1046040-A PHTHALOCYANINE COMPOUND YAMAMOTO CHEM INC 1998-02-17 JP disclosed