SCHEMBL29655763

SCHEMBL29655763

CC(C)NC(=O)c1cc2c(cc1F)OCCC21CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
FLT3 P36888 2/20 0.35
MERTK Q12866 2/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
TP53 P04637 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.33
ACACB O00763 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL29655802 0.86 PTGER4 (0.43) PTGER4TP53PDE4BIDO1TDO2
SCHEMBL30353241 0.80 PKM (0.40) PTGER4MAPTSMN1; SMN2NPC1RXRA
SCHEMBL29655815 0.77 SMN1; SMN2 (0.47) PTGER4SMN1; SMN2NPC1
SCHEMBL13761352 0.73 MAPT (0.49) LMNAMAPTHPGDSMN1; SMN2ALOX5
SCHEMBL29655790 0.71 PLK1 (0.46) PTGER4TP53MAPTSMN1; SMN2NPC1
SCHEMBL25753076 0.69 ALOX5 (0.42) LMNAMAPTHPGDSMN1; SMN2ALOX5
SCHEMBL15631138 0.67 ALOX5 (0.51) LMNAMAPTHPGDSMN1; SMN2ALOX5
SCHEMBL19121353 0.67 ALOX5 (0.44) LMNAMAPTHPGDSMN1; SMN2ALOX5
SCHEMBL31474132 0.66 KDM4E (0.41) TP53IDO1TDO2MAPTHPGD
SCHEMBL29655711 0.66 SMN1; SMN2 (0.52) HPGDSMN1; SMN2NPC1

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
WO-2022138793-A1 COMBINATION BETWEEN EP2 RECEPTOR ANTAGONIST AND IMMUNE CHECKPOINT INHIBITOR AND/OR EP4 RECEPTOR ANTAGONIST 小野薬品工業株式会社 2022-06-30 WO disclosed
WO-2022102731-A1 CANCER TREATMENT BY COMBINED USE OF EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITOR 小野薬品工業株式会社 2022-05-19 WO disclosed