SCHEMBL9406964

SCHEMBL9406964

C#CCc1ccc(COC(=O)C2C(C=C(F)C(F)(F)F)C2(C)C)o1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 3/20 0.38
ADRA2A P08913 1/20 0.36
CNR1 P21554 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL8822206 0.88 LMNA (0.50) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7924295 0.88 LMNA (0.50) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL4451472 0.86 LMNA (0.48) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11793445 0.84 TDP1 (0.39) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL2520088 0.81 TDP1 (0.37) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL12235784 0.81 TDP1 (0.37) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL12212701 0.81 TDP1 (0.37) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8089069 0.79 TDP1 (0.33) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8090306 0.79 TDP1 (0.33) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11130166 0.78 MEN1 (0.31) MEN1KMT2A

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
JP-6211611-A None JP disclosed
JP-H06211611-A INSECTICIDAL, INSECT-PROOFING AND REPELLING AGENT CONTAINING CYCLOPROPANECARBOXYLIC ACID ESTER DERIVATIVE AND METHOD FOR KILLING, PREVENTING AND REPELLING INSECT USING THE SAME DAINIPPON JOCHUGIKU CO LTD 1994-08-02 JP disclosed