SCHEMBL10898786

SCHEMBL10898786

CC(C)OC(=O)C1(F)C(=O)NC(=O)NC1O/N=C\c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 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
SCHEMBL10898561 1.00 ADORA2B (0.39) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL10898552 1.00 ADORA2B (0.39) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL9622594 0.88 ADORA2B (0.42) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL10900730 0.88 ADORA2B (0.42) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL9622596 0.88 ADORA2B (0.42) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL9671394 0.86 L3MBTL1 (0.42) ADORA2BPOLBKMT2AL3MBTL1PLA2G7
SCHEMBL10841698 0.86 L3MBTL1 (0.42) ADORA2BPOLBKMT2AL3MBTL1PLA2G7
SCHEMBL9669648 0.86 L3MBTL1 (0.42) ADORA2BPOLBKMT2AL3MBTL1PLA2G7
SCHEMBL9668873 0.86 PLA2G7 (0.43) POLBMEN1KMT2AL3MBTL1PLA2G7
SCHEMBL10917677 0.86 PLA2G7 (0.43) POLBMEN1KMT2AL3MBTL1PLA2G7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0099091-B1 HEXAHYDRODIOXOPYRIMIDINES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-10-29 EP claimed
US-4536504-A ANTITUMOR, ANTIVIRAL, AND ANTIBACTERIAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-20 US claimed
EP-0099091-A1 Hexahydrodioxopyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP claimed
EP-0099091-B1 HEXAHYDRODIOXOPYRIMIDINES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-10-29 EP disclosed
EP-0171942-A1 Antitumor composition Takeda Chemical Industries, Ltd. (JP) 1986-02-19 EP disclosed
US-4536504-A ANTITUMOR, ANTIVIRAL, AND ANTIBACTERIAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-20 US disclosed
EP-0099091-A1 Hexahydrodioxopyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP disclosed