SCHEMBL2555485

SCHEMBL2555485

CCC(C)(C)NC(=O)C(C)N1CCCC(C=O)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KDM4E B2RXH2 3/20 0.35
SIGMAR1 Q99720 2/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FKBP1A P62942 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL29952380 0.87 KDM4E (0.35) KDM4ESIGMAR1ALDH1A1HSD11B1
SCHEMBL2554036 0.84 SIGMAR1 (0.38) POLBKDM4ESIGMAR1DPP4ALDH1A1
SCHEMBL29957401 0.82 ALDH1A1 (0.38) KDM4ESIGMAR1DPP4ALDH1A1
SCHEMBL15330412 0.80 KDM4E (0.37) KDM4ESIGMAR1ALDH1A1HSD11B1
SCHEMBL2562021 0.80 KDM4E (0.37) KDM4ESIGMAR1ALDH1A1TSHRHSD11B1
SCHEMBL2559097 0.80 KDM4E (0.36) KDM4ESIGMAR1DPP4
SCHEMBL29952135 0.80 GAA (0.39) POLBKDM4ESIGMAR1ALDH1A1
SCHEMBL2556245 0.80 SIGMAR1 (0.41) KDM4ESIGMAR1DPP4ALDH1A1
SCHEMBL2556770 0.79 KDM4E (0.36) POLBKDM4ESIGMAR1DPP4ALDH1A1
SCHEMBL15332186 0.78 SIGMAR1 (0.37) KDM4ESIGMAR1ALDH1A1

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