SCHEMBL2562216

SCHEMBL2562216

CC(=O)C(NC(=O)CN(CC(=O)O)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SDCBP O00560 1/20 0.30
SDC2 P34741 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL29954500 0.81 KMT2A (0.36) NPSR1SDCBPSDC2ALDH1A1
SCHEMBL29953816 0.79 ALDH1A1 (0.36) NPSR1ALDH1A1
SCHEMBL2561646 0.76 TDP1 (0.38) NPSR1ALDH1A1
SCHEMBL156073 0.75 TDP1 (0.41)
SCHEMBL29953207 0.73 KDM5A (0.33) NPSR1ALDH1A1
SCHEMBL19197747 0.73 NPSR1 (0.42) NPSR1SDCBPSDC2ALDH1A1
SCHEMBL26724519 0.72 TDP1 (0.35) ALDH1A1
SCHEMBL29952299 0.71 NPSR1 (0.33) NPSR1
SCHEMBL23506609 0.70 EPHX2 (0.43) NPSR1
SCHEMBL2559103 0.70 NPSR1 (0.37) NPSR1SDCBPSDC2ALDH1A1

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