SCHEMBL19707366

SCHEMBL19707366

O=C(c1cccc(OC(F)(F)F)c1)C(Br)CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ GPR139 Q6DWJ6 1/20 0.45
▸ KAT6A Q92794 4/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 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
SCHEMBL19707231 0.87 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL5672983 0.85 GSK3B (0.51) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL19707370 0.85 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL19707234 0.85 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL19707325 0.82 HDAC8 (0.51) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL14099677 0.79 HDAC8 (0.56) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL29072684 0.77 KAT6A (0.51) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL30117137 0.77 KAT6A (0.51) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL690501 0.76 KAT6A (0.54) TAS1R3TAS1R1TAS1R2GPR139KAT6A
SCHEMBL29393449 0.76 KAT6A (0.52) TAS1R3TAS1R1TAS1R2GPR139KAT6A

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
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 — — WO disclosed
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