SCHEMBL7096495

SCHEMBL7096495

CCN1CCCc2cccc(C(=O)c3ccccc3C(=O)O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CHRM2 P08172 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
PARP2 Q9UGN5 2/20 0.41
PARP1 P09874 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL6645348 0.91 HRH3 (0.47) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL7093451 0.84 HRH3 (0.39) ALDH1A1MAPTTSHRHRH3KMT2A
SCHEMBL6649352 0.79 HRH3 (0.47) ALDH1A1MAPTSMN1; SMN2HRH3KMT2A
SCHEMBL29647869 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL20021588 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL12495697 0.77 HRH3 (0.43) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL6858751 0.77 ALDH1A1 (0.53) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL22140444 0.74 KMT2A (0.47) ALDH1A1GAAMAPTALOX15TSHR
SCHEMBL19603145 0.73 HRH3 (0.51) ALDH1A1HRH3KMT2AMEN1CHRM2
SCHEMBL11842202 0.73 HRH3 (0.51) ALDH1A1MAPTHTTHRH3KMT2A

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-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064986-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed