Sugi Predict

Sugi Predict / Compounds / SCHEMBL9606782

SCHEMBL9606782

SCHEMBL9606782

CCCc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)c(F)c1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 17/20 0.54
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL9606761 0.93 PTGER4 (0.61) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL14431077 0.92 PTGER4 (0.48) PTGER4CYP1A2CYP2D6
SCHEMBL12002087 0.91 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL12002196 0.89 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL10058526 0.88 PTGER4 (0.56) PTGER4CYP1A2CYP2D6PKM
SCHEMBL9606836 0.88 PTGER4 (0.53) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL14430833 0.87 PTGER4 (0.48) PTGER4CYP1A2CYP2D6
SCHEMBL10058524 0.86 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL10058545 0.86 PTGER4 (0.54) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL14430836 0.86 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM

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
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 — — EP disclosed