SCHEMBL4388671

SCHEMBL4388671

CCn1cc(C(=O)O)c(=O)c2cc(CCCNCCN)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
HPGD P15428 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 2/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 5/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TOP1 P11387 1/20 0.48
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 3/20 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
Trifluoroacetic Acid SCHEMBL4392513 0.95 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL5437272 0.90 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3976165 0.89 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3976181 0.89 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10TSHR
Trifluoroacetic Acid SCHEMBL3982421 0.85 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10TSHR
Trifluoroacetic Acid SCHEMBL4390356 0.85 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL4176893 0.84 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3843176 0.84 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13997241 0.83 HPGD (0.55) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL4392512 0.83 ALDH1A1 (0.48) KDM4EHPGDALDH1A1HSD17B10TSHR

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
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed