SCHEMBL2556722

SCHEMBL2556722

C=CCNC(=O)COc1ccc(C=O)cc1OCC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 2/20 0.48
TACR2 P21452 1/20 0.48
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL2555144 0.89 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2558682 0.89 ALDH1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2551892 0.87 ALDH1A1 (0.81) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL15329731 0.85 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2557291 0.83 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL15331054 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL29951932 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2555246 0.82 SMN1; SMN2 (0.71) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2558620 0.82 SMN1; SMN2 (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL2562592 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A

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