SCHEMBL29655733

SCHEMBL29655733

[2H]C1CC12CCOc1cc(C(=O)NC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.42
PTGER4 P35408 1/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAOB P27338 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PDK2 Q15119 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
SCHEMBL29655785 0.89 CYP26A1 (0.46) PLK1PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL29696137 0.81 CYP26A1 (0.47) PLK1PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL13605449 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAOBHPGD
SCHEMBL17664673 0.74 CNR2 (0.44) PLK1MEN1KMT2ALMNAGAA
SCHEMBL29655544 0.74 PTGER4 (0.46) PTGER4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29655732 0.71 NPC1 (0.62) PTGER4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17960260 0.69 PLK1 (0.43) PLK1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5192592 0.68 KMT2A (0.70) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL20861044 0.68 TAS1R3 (0.63) PLK1NPC1RAB9ASMN1; SMN2
SCHEMBL31189879 0.68 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MAOBHPGD

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