SCHEMBL2554036

SCHEMBL2554036

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FKBP1A P62942 1/20 0.31
DPP4 P27487 1/20 0.30
HSD11B1 P28845 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29956562 0.85 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2555485 0.84 POLB (0.37) SIGMAR1KDM4EPOLBALDH1A1TSHR
SCHEMBL29957327 0.81 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2561392 0.78 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL15330120 0.77 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1HSD11B1MEN1
SCHEMBL29951811 0.77 GAA (0.40) SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL2554767 0.77 SIGMAR1 (0.36) SIGMAR1KDM4EPOLBALDH1A1MEN1
SCHEMBL2558352 0.77 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL2553398 0.76 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29957416 0.76 SIGMAR1 (0.44) SIGMAR1KDM4ETSHRMEN1KMT2A

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