SCHEMBL4401734

SCHEMBL4401734

COCc1ccccc1COC(=O)C1C(C=C(C)C)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
LMNA P02545 5/20 0.57
CYP1A2 P05177 4/20 0.57
CYP2C19 P33261 4/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 5/20 0.51
ADRA2A P08913 1/20 0.48
CNR1 P21554 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL11670221 0.88 LMNA (0.59) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL4733616 0.85 TDP1 (0.44) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL6669213 0.85 TDP1 (0.61) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL523193 0.84 TDP1 (0.76) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL8624463 0.83 TDP1 (0.68) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL10596955 0.82 TDP1 (0.58) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL10844262 0.82 TDP1 (0.58) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL10845428 0.81 TDP1 (0.54) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL1920635 0.79 TDP1 (0.59) TDP1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL15996631 0.79 LMNA (0.57) TDP1LMNACYP1A2CYP2C19CYP3A4

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
EP-2034840-A2 PESTICIDAL COMPOSITION COMPRISING TETRAFLUOROBENZYL CYCLOPROPANE CARBOXYLATES Sumitomo Chemical Company, Limited (JP) 2009-03-18 EP disclosed
WO-2008001946-A2 PESTICIDAL COMPOSITION COMPRISING TETRAFLUOROBENZYL CYCLOPROPANE CARBOXYLATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-03 WO disclosed