SCHEMBL2554767

SCHEMBL2554767

CCC(CC)NC(=O)C(C)N1CCC(C=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
POLB P06746 1/20 0.30
RAB9A P51151 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
SCHEMBL29951811 0.88 GAA (0.40) SIGMAR1KDM4EALDH1A1GAAKMT2A
SCHEMBL2553398 0.84 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL2559097 0.83 KDM4E (0.36) SIGMAR1KDM4EGAACHRNB4CHRNA3
SCHEMBL29957327 0.83 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL15332281 0.83 SIGMAR1 (0.35) SIGMAR1KDM4EALDH1A1GAAKMT2A
SCHEMBL2561392 0.81 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL15330120 0.80 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL2558352 0.79 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL29957416 0.78 SIGMAR1 (0.44) SIGMAR1KDM4EGAAMEN1KMT2A
SCHEMBL2554036 0.77 SIGMAR1 (0.38) 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