SCHEMBL2560182

SCHEMBL2560182

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CAPN9 O14815 2/20 0.39
CAPN1 P07384 1/20 0.39
CTSB P07858 1/20 0.39
MAPK1 P28482 1/20 0.39
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2561392 0.87 SIGMAR1 (0.46) SIGMAR1HSD17B10GAASMN1; SMN2ALDH1A1
SCHEMBL2559303 0.86 SIGMAR1 (0.41) SIGMAR1HSD17B10GAARAB9ASMN1; SMN2
SCHEMBL2558352 0.85 SIGMAR1 (0.41) SIGMAR1HSD17B10GAASMN1; SMN2MMP8
SCHEMBL29957416 0.84 SIGMAR1 (0.44) SIGMAR1GAAMMP8KDM4ETDP1
SCHEMBL29957327 0.83 SIGMAR1 (0.42) SIGMAR1GAASMN1; SMN2MAPK1ALDH1A1
SCHEMBL15332866 0.83 SIGMAR1 (0.43) SIGMAR1MMP8EPHX2
SCHEMBL15331312 0.83 SIGMAR1 (0.43) SIGMAR1SMN1; SMN2ALDH1A1CYP3A4KDM4E
SCHEMBL2557370 0.81 CYP3A4 (0.42) SIGMAR1HSD17B10GAASMN1; SMN2ALDH1A1
SCHEMBL8763815 0.80 SIGMAR1 (0.50) SIGMAR1HSD17B10GAARAB9ASMN1; SMN2
SCHEMBL15330120 0.80 SIGMAR1 (0.38) SIGMAR1GAAALDH1A1KDM4ETDP1

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