SCHEMBL21391225

SCHEMBL21391225

CCOC(=O)N(C)CCN(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 2/20 0.34

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
SCHEMBL10292049 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL13479942 0.84 CHRNB2 (0.45) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL15359184 0.83 MGAM (0.41) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL254842 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL19925012 0.81 CA12 (0.37) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL26742778 0.81 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRM1
SCHEMBL13404999 0.81 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL995722 0.80 LMNA (0.40) ALDH1A1LMNAHSD17B10CA12CA1
Ammonia Solution, Strong SCHEMBL29011843 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL9256154 0.80 CHRNB2 (0.55) ALDH1A1LMNAHSD17B10CA12CA1

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-2019183270-A1 PUROMYCIN-BASED PROBES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO disclosed