SCHEMBL432167

SCHEMBL432167

CC(C)(C)OC(=O)N1CC(Oc2nc(C(F)(F)F)ccc2NC(=O)c2ccnc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
PTGES O14684 1/20 0.38
PIK3CD O00329 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
USP30 Q70CQ3 1/20 0.37
ACACB O00763 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
SYK P43405 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL432424 0.91 PIK3CD (0.39) GPBAR1PIK3CDTAS1R3TAS1R1TAS1R2
SCHEMBL432002 0.87 TAS1R3 (0.38) PTGESPIK3CDTAS1R3TAS1R1TAS1R2
SCHEMBL431263 0.86 HDAC1 (0.37) GPBAR1PTGESPIK3CDTAS1R3TAS1R1
SCHEMBL432998 0.86 TAS1R3 (0.39) GPBAR1PIK3CDTAS1R3TAS1R1TAS1R2
SCHEMBL433484 0.85 HDAC1 (0.37) PTGESPIK3CDTAS1R3TAS1R1TAS1R2
SCHEMBL433153 0.84 ANO1 (0.39) GPBAR1TAS1R3TAS1R1TAS1R2USP30
SCHEMBL1462914 0.82 GPR119 (0.42) TRPV1MEN1KMT2AGPR119
SCHEMBL433524 0.82 RAF1 (0.43) RAF1BRAF
SCHEMBL432425 0.79 HDAC2 (0.39) TAS1R3TAS1R1TAS1R2ACACBRAF1
SCHEMBL434931 0.78 GRM5 (0.34) RAF1MEN1KMT2A

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed