SCHEMBL4387147

SCHEMBL4387147

NCCCOCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
TOP2A P11388 4/20 0.43
TOP2B Q02880 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PIK3CG P48736 3/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 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
SCHEMBL4907582 0.83 GSK3B (0.44) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4397020 0.82 KDM4E (0.44) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4392432 0.82 GSK3B (0.45) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13997267 0.82 KDM4E (0.46) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3814772 0.81 KDM4E (0.47) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14022612 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4908453 0.76 KDM4E (0.42) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3810233 0.76 KDM4E (0.46) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14529751 0.76 KDM4E (0.47) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3816818 0.76 KDM4E (0.47) HRH3KDM4EALDH1A1HPGDHSD17B10

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