SCHEMBL92210

SCHEMBL92210

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL92160 0.91 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL21547332 0.89 ACHE (0.35) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL21547331 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL85851 0.85 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL85845 0.84 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL25691550 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL92146 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL17531940 0.76 TSHR (0.37) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL12390255 0.69 ALDH1A1 (0.51) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL92203 0.68 ALDH1A1 (0.52) ALDH1A1CYP3A4

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-8128393-B2 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. (US) 2012-03-06 US disclosed