SCHEMBL2556701

SCHEMBL2556701

Cc1cc(C=O)cc(C)c1OCC(=O)NCCC#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 2/20 0.42
SRC P12931 1/20 0.41
KMT2A Q03164 2/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
FAAH O00519 1/20 0.38
HPGD P15428 3/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2559225 0.88 SRC (0.44) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2559119 0.84 BCHE (0.49) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2558950 0.82 ALDH1A1 (0.46) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2560642 0.82 HPGD (0.56) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2558898 0.81 ALDH1A1 (0.56) LMNAALDH1A1MAPTSRCKMT2A
SCHEMBL2557183 0.80 SRC (0.44) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2554336 0.78 ALDH1A1 (0.54) LMNAALDH1A1SRCKMT2ABCHE
SCHEMBL2559592 0.77 ALDH1A1 (0.52) HTTALDH1A1MAPTKMT2AHPGD
SCHEMBL2558870 0.77 ALDH1A1 (0.56) LMNAHTTALDH1A1MAPTSRC
SCHEMBL2561651 0.77 SMN1; SMN2 (0.46) LMNAHTTALDH1A1MAPTSRC

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