SCHEMBL7499654

SCHEMBL7499654

Cc1nc(C)c(CC(=O)O)c(O)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.38
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL8801602 0.91 CYP1A2 (0.40) SMN1; SMN2EGLN1GAAKDM4ECYP1A2
SCHEMBL27442896 0.81 TSHR (0.48) EGLN1GAAKDM4EALDH1A1HPGD
SCHEMBL7505537 0.80 KDM4E (0.48) SMN1; SMN2EGLN1GAAKDM4ELMNA
SCHEMBL7500533 0.80 SMN1; SMN2 (0.41) SMN1; SMN2GAAKDM4ECYP1A2LMNA
SCHEMBL27638748 0.79 SMN1; SMN2 (0.40) SMN1; SMN2EGLN1GAAKDM4ELMNA
SCHEMBL10878348 0.79 SMN1; SMN2 (0.40) SMN1; SMN2GAAKDM4ECYP1A2LMNA
Acetic Acid SCHEMBL8807985 0.77 KDM4E (0.46) SMN1; SMN2EGLN1GAAKDM4ELMNA
SCHEMBL7505743 0.77 KDM4E (0.41) SMN1; SMN2GAAKDM4ECYP1A2LMNA
SCHEMBL24800386 0.77 NPSR1 (0.42) SMN1; SMN2EGLN1GAAKDM4ECYP1A2
SCHEMBL14966319 0.74 LMNA (0.36) EGLN1LMNADPP4

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 4 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
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