SCHEMBL2551055

SCHEMBL2551055

CC(=O)C(NC(=O)CNC(C(=O)O)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.38
SDCBP O00560 3/20 0.38
SDC2 P34741 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 3/20 0.37
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
MBTPS1 Q14703 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2558641 0.87 NPSR1 (0.40) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL2559498 0.80 NPSR1 (0.35) NPSR1ALDH1A1SMN1; SMN2PLA2G2APLA2G5
SCHEMBL20793254 0.79 NPSR1 (0.37) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL597202 0.78 SMN1; SMN2 (0.38) NPSR1ALDH1A1SMN1; SMN2PLA2G2APLA2G5
SCHEMBL2559103 0.78 NPSR1 (0.37) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL16041452 0.76 ALDH1A1 (0.40) NPSR1ALDH1A1SMN1; SMN2PLA2G2APLA2G5
SCHEMBL16041451 0.76 ALDH1A1 (0.40) NPSR1ALDH1A1SMN1; SMN2PLA2G2APLA2G5
SCHEMBL7419476 0.76 NPSR1 (0.45) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL7419479 0.76 NPSR1 (0.45) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL22025385 0.75 FOLH1 (0.51)

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