SCHEMBL92146

SCHEMBL92146

CC1(C)CC(N=C=O)CC(C)(CNC(=O)OCCF)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 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
SCHEMBL12390255 0.92 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL92203 0.90 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHR
SCHEMBL25692017 0.88 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL17880835 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL13971019 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL23710790 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPT
SCHEMBL10817517 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL10816128 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHR
SCHEMBL17410249 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR
SCHEMBL9344957 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR

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
US-8158728-B2 Methods and materials for fabricating microfluidic devices THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-04-17 US disclosed
US-8128393-B2 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. (US) 2012-03-06 US disclosed