SCHEMBL2558641

SCHEMBL2558641

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
SDCBP O00560 3/20 0.34
SDC2 P34741 3/20 0.34
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 2/20 0.33
LTA4H P09960 1/20 0.33
MME P08473 1/20 0.33
MBTPS1 Q14703 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL2551055 0.87 NPSR1 (0.44) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL2559498 0.79 NPSR1 (0.35) NPSR1SMN1; SMN2ALDH1A1MME
SCHEMBL20793254 0.77 NPSR1 (0.37) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL2559103 0.76 NPSR1 (0.37) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL13932943 0.72 CYP2C9 (0.45) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL22267166 0.72 CYP2C9 (0.45) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL15996559 0.72 CYP2C9 (0.45) NPSR1SMN1; SMN2SDCBPSDC2ALDH1A1
SCHEMBL2554153 0.72 ECE1 (0.36) NPSR1SMN1; SMN2SDCBPSDC2EPHX2
SCHEMBL3442583 0.72 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MMEFAAH
SCHEMBL596423 0.72 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MMEFAAH

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