SCHEMBL9570767

SCHEMBL9570767

CCOc1ccc(C(COCc2cccc(Sc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.37
FFAR1 O14842 6/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
TACR1 P25103 3/20 0.35
CETP P11597 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LTA4H P09960 1/20 0.34
CACNA1F O60840 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
SCHEMBL9570722 0.85 FFAR1 (0.36) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9560815 0.85 MRGPRX4 (0.41) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL409247 0.84 FFAR1 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9561406 0.84 FFAR1 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9560920 0.79 SLC5A2 (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9570819 0.78 FFAR1 (0.44) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9570818 0.78 FFAR1 (0.44) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL9570568 0.78 FFAR1 (0.44) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL409736 0.77 FFAR1 (0.44) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL118655 0.77 FFAR1 (0.44) MRGPRX4TP53PKMNFKB1NFKB2

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