SCHEMBL9570629

SCHEMBL9570629

CCOc1ccc(C(CO)C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
PDE2A O00408 1/20 0.40
FFAR1 O14842 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
CYP2C9 P11712 2/20 0.35
TUBB1 Q9H4B7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9570577 0.84 RORC (0.43) L3MBTL1FAAHCYP2C9CYP1A2CYP2C19
SCHEMBL16961722 0.79 KDM1A (0.42) KDM1APTGS2PTGS1PDE2AFFAR1
SCHEMBL25049236 0.78 KDM1A (0.46) KDM1APTGS2PTGS1PDE2AFFAR1
SCHEMBL9561666 0.78 NQO1 (0.50) L3MBTL1MEN1KMT2AACACB
SCHEMBL9560409 0.78 NQO1 (0.50) L3MBTL1MEN1KMT2AACACB
SCHEMBL10555386 0.78 NQO1 (0.50) L3MBTL1MEN1KMT2AACACB
SCHEMBL9570786 0.77 CES2 (0.40) PDE2AFAAH
SCHEMBL8228423 0.76 KDM1A (0.47) KDM1APTGS2PTGS1FFAR1L3MBTL1
SCHEMBL9570833 0.75 KDM1A (0.40) KDM1APTGS2PTGS1PDE2AFFAR1
SCHEMBL9570831 0.75 PPARG (0.57) L3MBTL1CYP2C9CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed