SCHEMBL2558342

SCHEMBL2558342

C=C(Br)COc1ccc(C=O)cc1OCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.68
KDM4E B2RXH2 5/20 0.60
TACR2 P21452 1/20 0.54
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
FDPS P14324 1/20 0.48
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5784372 0.87 ALDH1A1 (0.70) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL2559063 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL15330280 0.87 FDPS (0.65) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL2557026 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL493684 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL30159697 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL7390751 0.82 ALDH1A1 (0.76) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL13858849 0.81 ALDH1A1 (0.74) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL2560646 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ETACR2MAPTHPGD
SCHEMBL29956894 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2FDPS

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