SCHEMBL8880407

SCHEMBL8880407

O=C(F)Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3259561 0.79 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL20853595 0.77 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL503968 0.77 AKR1B1 (0.41) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL6525902 0.74 TSHR (0.35) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL701924 0.74 CA2 (0.36) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL12650846 0.74 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL15948146 0.74 AKR1B1 (0.39) TAS1R3TAS1R1TAS1R2TSHRNPSR1
SCHEMBL15948192 0.73 AKR1B1 (0.42) TAS1R3TAS1R1TAS1R2TSHRHTT
SCHEMBL31634838 0.72 CASP1 (0.35) TAS1R3TAS1R1TAS1R2TSHRNPSR1
Potassium Ion SCHEMBL31634843 0.72 CASP1 (0.35) TAS1R3TAS1R1TAS1R2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643948-A ANTIINFLAMMATORY, ANTICANCER PROCYON PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed