SCHEMBL16954136

SCHEMBL16954136

[CH2]C(C=C)c1cc(C#N)cc(OC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.35
MGLL Q99685 5/20 0.34
CUL4A Q13619 1/20 0.32
EPAS1 Q99814 1/20 0.32
ACHE P22303 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BACE1 P56817 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16950386 0.88 LMNA (0.46) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16951581 0.85 MGLL (0.38) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16957998 0.82 KMT2A (0.41) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16960695 0.82 CYP4F2 (0.36) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL6683299 0.81 LMNA (0.37) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16959946 0.80 ALDH1A1 (0.37) MGLLALDH1A1
SCHEMBL16951036 0.79 LMNA (0.40) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL14659690 0.79 CYP19A1 (0.46) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16951651 0.79 CYP19A1 (0.39) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16950493 0.79 LMNA (0.45) LMNACYP3A4MAPTKDM4EMEN1

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