SCHEMBL7499659

SCHEMBL7499659

CC(=O)Oc1c(C)nc(C)nc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
PREP P48147 3/20 0.34
CELA1 Q9UNI1 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ABCB11 O95342 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
KDR P35968 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7502910 0.81 KDM4E (0.33) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9731091 0.78 ABCB11 (0.37) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL27638747 0.76 NPSR1 (0.35) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL11015197 0.69 KDM4E (0.33) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL27774251 0.67 PREP (0.33) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL27996882 0.67 ABCB11 (0.33) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL20075881 0.67 PREP (0.44) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL276103 0.66 TDP1 (0.35) MAPTPOLB
SCHEMBL5494945 0.65 HTT (0.37) KDM4EHSD17B10HTTMAPTGAA
SCHEMBL28799037 0.65 SMN1; SMN2 (0.34) KDM4EHSD17B10ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634405-B1 Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens BAYER AG (DE) 2002-10-30 EP disclosed
US-5635508-A FUNGICIDES NOVARTIS AG (CH) 1997-06-03 US disclosed
CN-1122800-A Pyrimidinyl acrylic acid derivatives SANDOZ LTD (CH) 1996-05-22 CN disclosed
US-5453427-A Control phytopathogenic fungi especially in monocotelydons, podery mildew and rust SANDOZ LTD. (CH) 1995-09-26 US disclosed
EP-0634405-A1 Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens SANDOZ LTD. (CH) 1995-01-18 EP disclosed