SCHEMBL9702494

SCHEMBL9702494

CCOC(C)(CO)C(C(=O)OCc1ccccc1)c1nc(OC)nc(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 5/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
SYK P43405 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 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
SCHEMBL9702107 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL8943510 0.76 EDNRB (0.47) L3MBTL1ALDH1A1EDNRBEDNRALMNA
SCHEMBL9367453 0.72 EDNRB (0.44) L3MBTL1ALDH1A1EDNRBEDNRAKMT2A
SCHEMBL9756283 0.65 L3MBTL1 (0.44) L3MBTL1ALDH1A1LMNAKMT2AMAPK1
SCHEMBL3951530 0.65 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMAPK1
SCHEMBL6946124 0.65 ALDH1A1 (0.62) L3MBTL1ALDH1A1SYKHPGDLMNA
SCHEMBL13144047 0.65 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNAKMT2AMAPK1
SCHEMBL20054182 0.63 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNAKMT2AMAPK1
SCHEMBL12674439 0.62 ALDH1A1 (0.58) L3MBTL1ALDH1A1LMNAKMT2AMAPK1
SCHEMBL19185177 0.62 ALDH1A1 (0.58) L3MBTL1ALDH1A1SYKHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed