SCHEMBL6935816

SCHEMBL6935816

CCCCCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)OC(=O)C(CC)c3ccc(N4C(=O)c5c(c(OC(C)C)c6ccccc6c5OCCCCCC)C4=O)cc3)cc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 2/20 0.31
CDC25B P30305 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL6932891 0.94 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARGPPARD
SCHEMBL6935813 0.88 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARGPPARD
SCHEMBL3570585 0.86 PTGER4 (0.47) PTGER4CYP1A2CYP2D6PPARGPPARD
SCHEMBL4617779 0.84 PTGER4 (0.67) PTGER4CYP1A2CYP2D6PTPN1PTPN11
SCHEMBL13594713 0.84 PTGER4 (0.58) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL6932887 0.82 PTGER4 (0.61) PTGER4CYP1A2CYP2D6PPARGPPARD
SCHEMBL3572228 0.81 PTGER4 (0.70) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL3564292 0.81 PTGER4 (0.52) PTGER4CYP1A2CYP2D6HSD17B10PPARG
SCHEMBL3563515 0.80 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1PPARG
SCHEMBL3562853 0.79 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARGPPARD

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-1368312-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
WO-2002064564-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-08-22 WO disclosed