SCHEMBL29655544

SCHEMBL29655544

[2H]C1CC12CCOc1ccc(C(=O)NCCC)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.46
CYP26A1 O43174 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
KLF5 Q13887 3/20 0.44
HPGD P15428 4/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PDK2 Q15119 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
PAX8 Q06710 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42

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 0.84 CYP26A1 (0.46) PTGER4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL29655732 0.79 NPC1 (0.62) PTGER4NPC1RAB9AHPGDTP53
SCHEMBL29696137 0.76 CYP26A1 (0.47) PTGER4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL29655794 0.75 MAPK14 (0.45) CYP26A1CYP26B1RAB9AHPGDKDM4E
SCHEMBL8454439 0.75 TAS1R3 (0.67) NPC1RAB9AKLF5HPGDTP53
SCHEMBL10559161 0.74 RARB (0.70) CYP26A1CYP26B1NPC1RAB9APTGS1
SCHEMBL10559147 0.74 RARB (0.70) CYP26A1CYP26B1NPC1RAB9APTGS1
SCHEMBL29655711 0.74 SMN1; SMN2 (0.52) CYP26A1CYP26B1NPC1RAB9AHPGD
SCHEMBL29655733 0.74 PLK1 (0.42) PTGER4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL29655774 0.73 NPC1 (0.56) PTGER4NPC1RAB9AHPGDTP53

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