SCHEMBL16955366

SCHEMBL16955366

[CH2]C(C=C)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
SIRT6 Q8N6T7 1/20 0.45
MAPT P10636 6/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHEK1 O14757 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 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
SCHEMBL16950711 0.88 TUBB4A (0.49) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL16961070 0.84 ALDH1A1 (0.50) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL16952376 0.84 MAPT (0.50) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL16950722 0.81 AKR1C3 (0.33) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL12040936 0.81 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL16950539 0.80 MAPT (0.47) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL18970268 0.80 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL16959143 0.79 ALDH1A1 (0.45) ALDH1A1TDP1LMNASIRT6CYP3A4
SCHEMBL16959353 0.79 ALDH1A1 (0.45) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL24346247 0.78 ALDH1A1 (0.50) ALDH1A1TDP1LMNASIRT6MAPT

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed