SCHEMBL3023868

SCHEMBL3023868

CCCCC(CC)C(N)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA1 P00915 4/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
PRKCA P17252 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
SLC15A1 P46059 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL8679148 0.92 CA2 (0.39) CA2CA1TSHRCYP3A4ATM
SCHEMBL11592266 0.84 TSHR (0.40) TSHRTDP1PRKCASLC1A3SLC1A2
SCHEMBL11587587 0.83 CA2 (0.39) CA2CA1TSHRCYP3A4ATM
SCHEMBL29196554 0.82 CA2 (0.36) CA2CA1TSHRCYP3A4ATM
SCHEMBL11239044 0.80 CA2 (0.37) CA2CA1TSHRCYP3A4ATM
SCHEMBL28471274 0.79 CA2 (0.40) CA2CA1TSHRCYP3A4ATM
SCHEMBL21811655 0.78 CA2 (0.39) CA2CA1TSHRCYP3A4ATM
SCHEMBL21811924 0.78 CA2 (0.39) CA2CA1TSHRCYP3A4ATM
SCHEMBL28325468 0.78 CA2 (0.39) CA2CA1TSHRCYP3A4ATM
SCHEMBL8035919 0.78 CA2 (0.39) CA2CA1TSHRCYP3A4ATM

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-2010144469-A2 DYE AND CONDUCTIVE POLYMER COMPOSITIONS FOR USE IN SOLID-STATE ELECTRONIC DEVICES PLEXTRONICS, INC. (US) 2010-12-16 WO disclosed