SCHEMBL2558178

SCHEMBL2558178

NC(=O)CCOc1ccc(Cl)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
ERN1 O75460 1/20 0.45
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
CCR5 P51681 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
S1PR4 O95977 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2559901 0.86 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27816665 0.83 MAPT (0.61) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2558659 0.82 PTGDR2 (0.64) ALDH1A1KDM4EGAAERN1HPGD
SCHEMBL2556920 0.82 SRC (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL15330008 0.81 MAPT (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30902395 0.81 ERN1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5882305 0.81 ERN1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8504061 0.80 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4209039 0.80 KDM4E (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14959979 0.80 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E

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