SCHEMBL28628830

SCHEMBL28628830

FC(F)(F)Oc1ccc(OC(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
GPR3 P46089 3/20 0.46
FFAR4 Q5NUL3 5/20 0.46
CHRM5 P08912 3/20 0.45
KIF11 P52732 1/20 0.42
CASR P41180 1/20 0.42
CHRM1 P11229 1/20 0.42
FFAR1 O14842 2/20 0.42
CES1 P23141 1/20 0.41
SCN9A Q15858 2/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
CYP2C9 P11712 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL12017817 0.82 PTGDR2 (0.54) GPR3FFAR4CASRSCN9A
SCHEMBL2095348 0.81 CASR (0.41) METAP2FFAR4CASRSCN9A
SCHEMBL15756983 0.81 METAP2 (0.48) METAP2GPR3FFAR4CHRM5KIF11
SCHEMBL8823578 0.81 METAP2 (0.48) METAP2GPR3FFAR4CHRM5KIF11
SCHEMBL29788132 0.79 FFAR4 (0.55) FFAR4SCN9ACYP2C9
SCHEMBL306822 0.79 FFAR4 (0.55) FFAR4SCN9ACYP2C9
SCHEMBL12164572 0.79 KIF11 (0.42) KIF11
SCHEMBL16429063 0.79 ALOX5 (0.55) METAP2GPR3FFAR4CHRM5KIF11
SCHEMBL27907854 0.79 ALOX5AP (0.51) METAP2GPR3FFAR4CHRM5KIF11
SCHEMBL14003436 0.78 GSTP1 (0.46) GPR3FFAR4CHRM5CASRSCN9A

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
CN-115354524-A Moisture-proof and flame-retardant corrugated packaging paper and preparation method thereof 邱龙 2022-11-18 CN disclosed
CN-109749122-B Hydrophobic ring cross-linked polyphosphazene composite sponge and preparation method and application thereof 中国石油大学(华东) 2021-10-08 CN disclosed