SCHEMBL11097666

SCHEMBL11097666

CC(=O)Oc1ccc(C2OCCO2)cc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAPDH P04406 1/20 0.40
TOP1 P11387 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL11102767 0.92 NR3C1 (0.62) NR3C1TSHRALDH1A1KDM4ERAB9A
SCHEMBL13414998 0.82 ABCB1 (0.44) NR3C1ALDH1A1KDM4EGAAPOLB
SCHEMBL27838089 0.79 NR3C1 (0.56) NR3C1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL11097182 0.78 LMNA (0.50) ALDH1A1KDM4EGAARAB9ACYP3A4
SCHEMBL178911 0.78 NR3C1 (0.59) NR3C1TSHRALDH1A1KDM4EGAA
SCHEMBL178909 0.77 NR3C1 (0.58) NR3C1TSHRALDH1A1KDM4EGAA
SCHEMBL13359889 0.77 NR3C1 (0.58) NR3C1TSHRALDH1A1KDM4EGAA
SCHEMBL8225508 0.77 NR3C1 (0.58) NR3C1TSHRALDH1A1KDM4EGAA
SCHEMBL178924 0.75 NR3C1 (0.53) NR3C1TSHRALDH1A1KDM4EGAA
SCHEMBL6234654 0.75 ALDH1A1 (0.48) NR3C1ALDH1A1KDM4EGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046307-B1 NOVEL URACIL DERIVATIVES, PROCESS FOR PREPARING THE SAME AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1984-11-21 EP disclosed
US-4415573-A ANTITUMOR AND ANTICARCINOGENIC AGENTS; REACTING A 1,3-DIOXOLANE AND A URACIL USING AN ACID CATALYST AND SOLVENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1983-11-15 US disclosed
EP-0046307-A1 Novel uracil derivatives, process for preparing the same and a pharmaceutical composition containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-02-24 EP disclosed