SCHEMBL2553147

SCHEMBL2553147

CCCNC(=O)C(C)Oc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OGG1 O15527 1/20 0.43
RECQL P46063 1/20 0.41
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ATM Q13315 1/20 0.40
ERN1 O75460 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29953970 0.92 GAA (0.52) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2553612 0.91 ALDH1A1 (0.54) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL29950635 0.89 SMN1; SMN2 (0.48) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2557847 0.88 ALDH1A1 (0.47) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2554358 0.87 HPGD (0.52) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2559130 0.85 ALDH1A1 (0.45) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL15330353 0.85 GAA (0.56) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL15333466 0.85 ALDH1A3 (0.50) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2556751 0.83 ALDH1A1 (0.45) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2561466 0.83 ALDH1A1 (0.42) ALDH1A1MAPTGAAPOLBMEN1

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed