SCHEMBL29655790

SCHEMBL29655790

CNC(=O)c1cc2c(cc1OC)OCCC21CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.46
PTGER4 P35408 2/20 0.45
RXRA P19793 2/20 0.39
HNF4A P41235 1/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B1 P14061 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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 0.82 PTGER4 (0.43) PLK1PTGER4RXRAHNF4ANPC1
SCHEMBL29696137 0.73 CYP26A1 (0.47) PLK1PTGER4RXRAPKMNPC1
SCHEMBL29655763 0.71 PTGER4 (0.46) PTGER4RXRAHNF4ANPC1TP53
SCHEMBL30353241 0.70 PKM (0.40) PTGER4RXRAHNF4APKMNPC1
SCHEMBL7954427 0.69 CYP3A4 (0.57) PLK1PKMNPC1RAB9AMAPT
SCHEMBL29655733 0.66 PLK1 (0.42) PLK1PTGER4PKMNPC1RAB9A
SCHEMBL29655785 0.66 CYP26A1 (0.46) PLK1PTGER4RXRAPKMNPC1
SCHEMBL34460242 0.65 IRAK4 (0.36) RXRA
SCHEMBL29655815 0.65 SMN1; SMN2 (0.47) PTGER4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31371949 0.64 DRD2 (0.44) MAPTALDH1A1HSD17B10KDM4E

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