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SCHEMBL6932891

SCHEMBL6932891

CCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)OC(=O)C(CC)c3ccc(N4C(=O)c5c(c(OC(C)C)c6ccccc6c5OCCC)C4=O)cc3)cc1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 12/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ PPARA Q07869 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 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
SCHEMBL6935816 0.94 PTGER4 (0.48) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL6932887 0.87 PTGER4 (0.61) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3563515 0.86 PTGER4 (0.49) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3568198 0.84 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL13594713 0.82 PTGER4 (0.58) PTGER4CYP1A2CYP2D6KMT2APOLB
SCHEMBL6935813 0.82 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3570585 0.80 PTGER4 (0.47) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3561182 0.80 PTGER4 (0.55) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3572228 0.79 PTGER4 (0.70) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL3564199 0.79 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARAPPARG

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