SCHEMBL7573733

SCHEMBL7573733

CCCCOc1cc(-c2cccc(OC)c2)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
DHODH Q02127 1/20 0.41
FPR2 P25090 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BTK Q06187 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
TP53 P04637 1/20 0.40
ADORA2B P29275 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7580611 0.88 MAPT (0.44) HPGDHTTADORA1NPSR1KDM4E
SCHEMBL7573073 0.85 KDM4E (0.39) HPGDHTTTP53KDM4ESQOR
SCHEMBL7573906 0.84 ADORA1 (0.44) CYP11B1CYP11B2BTKHPGDHTT
Dimethylamine SCHEMBL7572333 0.82 KDM4E (0.39) HPGDHTTKDM4ESQORMAPK1
SCHEMBL7715410 0.79 L3MBTL1 (0.39) FPR2HPGDHTTTP53NPSR1
SCHEMBL7572253 0.78 CYP3A4 (0.46) CYP11B1CYP11B2HPGDKDM4ESQOR
SCHEMBL7573743 0.78 MAPT (0.41) HPGDHTTADORA2AADORA1TP53
SCHEMBL7575694 0.77 CNR2 (0.39) GRM2HPGDCNR1CNR2PDCD1
SCHEMBL7572329 0.76 PIM1 (0.41) GRM2HPGDADORA1KDM4ECNR1
SCHEMBL7576174 0.76 PDE3A (0.46) HPGDADORA2AADORA1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed