SCHEMBL433752

SCHEMBL433752

CC(C)(C)OC(=O)N1CC(Oc2nc(C(F)(F)F)ccc2N)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PIK3CD O00329 5/20 0.40
GPR119 Q8TDV5 4/20 0.40
RORC P51449 1/20 0.39
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38

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
SCHEMBL432426 0.84 CACNB4 (0.41) HDAC1HDAC2USP30PIK3CD
SCHEMBL432685 0.84 ALDH1A1 (0.40) TRPV1USP30GPBAR1PIK3CDGPR119
SCHEMBL6112839 0.78 POLB (0.46) USP30GPBAR1PIK3CDGPR119
SCHEMBL433902 0.77 CACNB4 (0.41) HDAC1HDAC2PIK3CD
SCHEMBL2526787 0.75 TRPV1 (0.56) TRPV1GPR119
SCHEMBL1075431 0.75 IDH1 (0.46) GPR119IDH1IDH2
SCHEMBL24752596 0.75 PIK3CD (0.47) USP30PIK3CD
SCHEMBL432167 0.75 TRPV1 (0.40) TRPV1USP30GPBAR1PIK3CDGPR119
SCHEMBL23830622 0.74 DPP4 (0.41) HDAC1HDAC2USP30PIK3CDGPR119
SCHEMBL30261951 0.74 GPR119 (0.41) USP30GPBAR1PIK3CDGPR119RORC

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