SCHEMBL2559528

SCHEMBL2559528

C=CCNC(=O)C(C)N1CCCC(C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 3/20 0.31

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
SCHEMBL29957401 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SIGMAR1KDM4E
SCHEMBL2560294 0.85 ALDH1A1 (0.40) ALDH1A1NPSR1KMT2AMEN1NPC1
SCHEMBL20578688 0.85 HPGD (0.31) ALDH1A1NPSR1KMT2AMEN1NPC1
SCHEMBL15332186 0.84 SIGMAR1 (0.37) ALDH1A1KMT2AMEN1SIGMAR1KDM4E
SCHEMBL2556245 0.83 SIGMAR1 (0.41) ALDH1A1KMT2AMEN1SIGMAR1KDM4E
SCHEMBL2559303 0.83 SIGMAR1 (0.41) ALDH1A1KMT2AMEN1RAB9ASIGMAR1
SCHEMBL15331399 0.82 SIGMAR1 (0.36) ALDH1A1KMT2AMEN1SIGMAR1KDM4E
SCHEMBL29955449 0.81 SIGMAR1 (0.40) ALDH1A1NPSR1KMT2AMEN1SIGMAR1
SCHEMBL15330412 0.81 KDM4E (0.37) ALDH1A1KMT2AMEN1NPC1SIGMAR1
SCHEMBL2562021 0.81 KDM4E (0.37) ALDH1A1KMT2AMEN1SIGMAR1KDM4E

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 6 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
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