SCHEMBL13942014

SCHEMBL13942014

CCCc1c2c(c(CCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)cc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL14431119 0.95 PTGER4 (0.49) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL13941753 0.93 PTGER4 (0.67) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL14431118 0.89 PTGER4 (0.59) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL4031837 0.85 PTGER4 (0.65) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL14431121 0.85 PTGER4 (0.51) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL10058499 0.84 PTGER4 (0.57) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL13942024 0.84 PTGER4 (0.69) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL13942570 0.83 PTGER4 (0.59) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL13942321 0.83 PTGER4 (0.53) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL12002092 0.82 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL

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
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed