SCHEMBL2558352

SCHEMBL2558352

CC(C)CNC(=O)C(C)N1CCC(C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
EPHX1 P07099 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CTSD P07339 1/20 0.34
GAA P10253 1/20 0.34
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL29957327 0.86 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2560182 0.85 SIGMAR1 (0.45) SIGMAR1CYP2C19KDM4EALDH1A1GAA
SCHEMBL15332186 0.84 SIGMAR1 (0.37) SIGMAR1EPHX1CYP2C19CYP2D6KDM4E
SCHEMBL2561392 0.83 SIGMAR1 (0.46) SIGMAR1EPHX1KDM4EALDH1A1MEN1
SCHEMBL15330120 0.82 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2558519 0.82 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2560294 0.82 ALDH1A1 (0.40) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2553398 0.81 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29957416 0.81 SIGMAR1 (0.44) SIGMAR1KDM4EMEN1KMT2AGAA
SCHEMBL15331312 0.80 SIGMAR1 (0.43) SIGMAR1KDM4EALDH1A1MEN1KMT2A

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