SCHEMBL7633174

SCHEMBL7633174

COC(=O)[C@@H]1[C@H](/C=C(\C)F)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ATM Q13315 2/20 0.31
ADRA2A P08913 1/20 0.31
CNR1 P21554 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL809025 1.00 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL7639324 1.00 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL809024 1.00 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL9862228 0.87 LMNA (0.50) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL10828300 0.87 LMNA (0.50) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL808904 0.87 LMNA (0.50) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL6439369 0.85 LMNA (0.66) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL3683341 0.85 LMNA (0.66) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL2219671 0.85 LMNA (0.66) LMNATSHRCYP1A2CYP2C19TRPV1
SCHEMBL10989214 0.85 LMNA (0.66) LMNATSHRCYP1A2CYP2C19TRPV1

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-1209154-A1 Preparation of monofluoroalkenes Aventis CropScience GmbH (DE) 2002-05-29 EP disclosed