SCHEMBL7573040

SCHEMBL7573040

CCCCOc1c(Br)c(Br)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 6/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 7/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL7572306 0.80 THRA (0.43) THRATHRBMAPTHPGDKDM4E
SCHEMBL11407591 0.79 THRA (0.46) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL1524981 0.78 LTA4H (0.42) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL30509797 0.78 LTA4H (0.42) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL18159211 0.77 MAPT (0.38) THRATHRBMAPTHPGDKDM4E
SCHEMBL18159207 0.77 MAPT (0.38) THRATHRBMAPTHPGDKDM4E
SCHEMBL19021750 0.76 HPGD (0.39) THRATHRBMAPTHPGDKDM4E
SCHEMBL18159212 0.76 MAPT (0.37) THRATHRBMAPTHPGDKDM4E
SCHEMBL8716356 0.74 LTA4H (0.42) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL18159206 0.74 MAPT (0.36) THRATHRBMAPTHPGDKDM4E

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
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed