SCHEMBL8304514

SCHEMBL8304514

CCOc1noc(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
BRD2 P25440 3/20 0.43
CREBBP Q92793 3/20 0.43
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL286028 0.81 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4GAA
SCHEMBL7160132 0.75 KDM4E (0.40) BRD4BRD2CREBBPGRIA1GRIA2
SCHEMBL12544079 0.75 MAPT (0.49) L3MBTL1MAPTTSHRSMN1; SMN2GAA
SCHEMBL353667 0.74 ALDH1A1 (0.57) GRIA1GRIA3MEN1KMT2ASMN1; SMN2
SCHEMBL7374475 0.72 HTR2A (0.41) BRD4BRD2CREBBPGRIA1GRIA2
SCHEMBL12926061 0.72 LMNA (0.46) BRD4BRD2CREBBPL3MBTL1MEN1
SCHEMBL2056999 0.72 NPSR1 (0.53) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9206113 0.71 ALDH1A1 (0.43) L3MBTL1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL14945013 0.70 GRIA1 (0.78) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL13957545 0.70 GRIA1 (0.78) GRIA1GRIA2GRIA3GRIA4MAPT

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-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed