SCHEMBL2431779

SCHEMBL2431779

CCOc1c2c(c(OCC(F)(F)F)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1F)C2=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.44
AKR1C3 P42330 9/20 0.44
AKR1C2 P52895 9/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
AKR1B10 O60218 2/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C1 Q04828 2/20 0.38

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
SCHEMBL2299558 0.94 PTGER4 (0.48) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL2432467 0.90 PTGER4 (0.43) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590655 0.89 PTGER4 (0.45) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1591298 0.88 PTGER4 (0.47) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1589945 0.88 PTGER4 (0.45) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL2428776 0.87 AKR1C3 (0.42) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL2433334 0.87 PTGER4 (0.63) PTGER4
SCHEMBL2431897 0.87 PTGER4 (0.63) PTGER4
SCHEMBL2299042 0.86 AKR1C3 (0.43) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1591360 0.85 PTGER4 (0.42) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed