SCHEMBL15330278

SCHEMBL15330278

CC(C)N(CC(N)=O)c1c(F)cc(C=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5 P09917 2/20 0.34
STAT3 P40763 2/20 0.34
NFE2L2 Q16236 2/20 0.34
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ERN1 O75460 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
SCHEMBL2561620 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2555463 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1ALOX5STAT3NFE2L2
SCHEMBL2560905 0.80 ALDH1A1 (0.33) ALDH1A1MAPK1ALOX5STAT3NFE2L2
SCHEMBL2555667 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1ALOX5STAT3NFE2L2
SCHEMBL15330157 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1
SCHEMBL2562721 0.73 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1
SCHEMBL2556059 0.71 ERN1 (0.35) ALDH1A1ERN1
SCHEMBL2560571 0.71 ALDH1A1 (0.37) ALDH1A1NFE2L2PTGS1
SCHEMBL2561754 0.70 ALDH1A1 (0.41) ALDH1A1ALOX5STAT3NFE2L2PTGES
SCHEMBL2558260 0.70 ALDH1A3 (0.38) ALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed