SCHEMBL10486602

SCHEMBL10486602

CCOC(=O)C(C)Oc1ccc(O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
PPOX P50336 2/20 0.43
ALDH2 P05091 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
TSHR P16473 4/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10496147 0.89 ALDH1A1 (0.42) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL2656460 0.87 HPGD (0.56) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL4776721 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL9823900 0.85 KMT2A (0.44) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10496181 0.85 HPGD (0.42) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10455068 0.81 TSHR (0.50) ALDH1A1HPGDL3MBTL1LMNAMAPT
SCHEMBL10455069 0.81 TSHR (0.50) ALDH1A1HPGDL3MBTL1LMNAMAPT
SCHEMBL3987408 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10496157 0.79 LMNA (0.70) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL2341795 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837355-A HYDROLYZING SULFATE ESTER ICI AUSTRALIA LIMITED (AU) 1989-06-06 US disclosed
US-4803273-A HERBICIDES ICI AUSTRALIA LIMITED (AU) 1989-02-07 US disclosed
US-4655819-A Quinoxalinyloxy phenoxy proprionic acid derivatives as selective herbicides ICI AUSTRALIA LIMITED (AU) 1987-04-07 US disclosed
EP-0061459-B1 PROCESS FOR THE SYNTHESIS OF PHENOXYALKANE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1986-10-29 EP disclosed
EP-0060607-B1 2-(2-HALO-4-(6-HALOQUINOXALIN-2-YLOXY)PHENOXY)PROPIONATES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-08-28 EP disclosed
EP-0024932-B1 1,2,4-BENZOTRIAZINYLOXYPHENOXYALKANE CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDES, AND THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1984-08-01 EP disclosed
EP-0061459-A4 PROCESS FOR THE SYNTHESIS OF PHENOXYALKANE DERIVATIVES. ICI AUSTRALIA LTD (AU) 1982-12-27 EP disclosed
EP-0061459-A1 PROCESS FOR THE SYNTHESIS OF PHENOXYALKANE DERIVATIVES. ICI AUSTRALIA LTD (AU) 1982-10-06 EP disclosed
EP-0060607-A1 2-(2-halo-4-(6-haloquinoxalin-2-yloxy)phenoxy)propionates, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-09-22 EP disclosed
WO-1982000639-A1 PROCESS FOR THE SYNTHESIS OF PHENOXYALKANE DERIVATIVES WATSON K 1982-03-04 WO disclosed
US-4309211-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-05 US disclosed
EP-0024932-A2 1,2,4-Benzotriazinyloxyphenoxyalkane carboxylic-acid derivatives, processes for their preparation, their use as herbicides, and their preparation ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed