Sugi Predict

Sugi Predict / Compounds / SCHEMBL9947668

SCHEMBL9947668

SCHEMBL9947668

CC(C)Oc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 16/20 0.54
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ EDNRA P25101 1/20 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
SCHEMBL2296371 0.93 PTGER4 (0.55) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL9947691 0.92 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL10058519 0.90 PTGER4 (0.48) PTGER4CYP1A2CYP2D6EDNRA
SCHEMBL2929004 0.90 PTGER4 (0.66) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL1590079 0.90 PTGER4 (0.52) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL9947702 0.89 PTGER4 (0.54) PTGER4CYP1A2CYP2D6EDNRA
SCHEMBL9947633 0.89 PTGER4 (0.51) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL10078896 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2D6EDNRA
SCHEMBL9947627 0.88 PTGER4 (0.57) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL9606775 0.86 PTGER4 (0.49) PTGER4CYP1A2CYP2D6PTGDR2

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-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 — — EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 — — US disclosed