SCHEMBL29655802

SCHEMBL29655802

CNC(=O)c1cc2c(cc1F)OCCC21CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
GAA P10253 1/20 0.36
RXRA P19793 2/20 0.34
BAZ2B Q9UIF8 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
PLK1 P53350 1/20 0.34
HNF4A P41235 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAP3K14 Q99558 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL29655763 0.86 PTGER4 (0.46) PTGER4RXRAHNF4AIDO1TDO2
SCHEMBL30353241 0.83 PKM (0.40) PTGER4RXRARARARARBRARG
SCHEMBL29655790 0.82 PLK1 (0.46) PTGER4RXRABAZ2BPLK1HNF4A
SCHEMBL29696137 0.75 CYP26A1 (0.47) PTGER4GAARXRARARARARB
SCHEMBL7981477 0.70 GAA (0.55) GAAPLK1HPGDMAPK1
SCHEMBL29655785 0.68 CYP26A1 (0.46) PTGER4GAARXRARARARARB
SCHEMBL29655733 0.68 PLK1 (0.42) PTGER4GAAPLK1NPC1RAB9A
SCHEMBL31474132 0.66 KDM4E (0.41) RARBRARGIDO1TDO2NPC1
SCHEMBL12506962 0.66 GAA (0.50) GAAPLK1NPC1RAB9A
SCHEMBL13575596 0.65 GAA (0.48) GAAPLK1MAPK1

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