SCHEMBL6858751

SCHEMBL6858751

CCN1CCCc2cc(C(=O)c3ccccc3C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
CASP1 P29466 2/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 2/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
LMNA P02545 2/20 0.46
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPL P05186 1/20 0.44
ALPG P10696 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1310717 0.86 HDAC1 (0.49) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL20178649 0.86 ALDH1A1 (0.52) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL17262947 0.84 POLB (0.51) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL29647869 0.82 ALDH1A1 (0.49) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL20021588 0.82 ALDH1A1 (0.49) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL6850945 0.82 HDAC1 (0.44) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL18593240 0.79 GAA (0.54) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL20178650 0.79 ACHE (0.54) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL1311927 0.77 HDAC1 (0.53) ALDH1A1GAAMAPTTSHRKDM4E
SCHEMBL7096495 0.77 ALDH1A1 (0.45) ALDH1A1GAAMAPTCASP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed
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