SCHEMBL9862228

SCHEMBL9862228

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 2/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL808904 1.00 LMNA (0.50) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL10828300 1.00 LMNA (0.50) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL7639324 0.87 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL809025 0.87 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL7633174 0.87 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL809024 0.87 LMNA (0.49) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL808923 0.85 LMNA (0.44) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL5706690 0.85 LMNA (0.44) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL3358252 0.85 LMNA (0.44) LMNATSHRCYP1A2CYP2C19TDP1
SCHEMBL808827 0.85 LMNA (0.44) LMNATSHRCYP1A2CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004822-A Isomers of 3-acetyl-2,2-dimethyl cyclopropane carboxylic acid derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-04-02 US disclosed
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed