SCHEMBL2551892

SCHEMBL2551892

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 2/20 0.56
TACR2 P21452 1/20 0.52
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
S1PR4 O95977 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
S1PR1 P21453 1/20 0.47

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
SCHEMBL15329731 0.90 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL29952641 0.89 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL29958425 0.89 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL2557291 0.88 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL29951932 0.87 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL2556722 0.87 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL15331054 0.87 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL2553586 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL2562592 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2POLBTACR2
SCHEMBL29951504 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2POLBTACR2

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