SCHEMBL4397020

SCHEMBL4397020

NCCCOCCOc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2B Q02880 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PIK3CG P48736 4/20 0.42
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL13799060 0.90 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL335129 0.89 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13799059 0.89 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13799061 0.87 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3818685 0.87 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10243304 0.86 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3809966 0.86 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4908453 0.84 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4388089 0.83 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4387147 0.82 HRH3 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10

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