SCHEMBL2558640

SCHEMBL2558640

COc1cc(C=O)ccc1OCCSCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.65
ALDH1A1 P00352 10/20 0.60
MAPT P10636 6/20 0.60
HPGD P15428 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CYP2C9 P11712 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSP90AA1 P07900 1/20 0.54
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL7466603 0.82 FDPS (0.74) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL2559267 0.81 FDPS (0.72) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL5973815 0.80 FDPS (1.00) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL6536289 0.79 POLB (0.74) FDPSALDH1A1CYP2C9NPSR1NPC1
SCHEMBL9584470 0.79 LMNA (0.64) MAPTL3MBTL1NPSR1SMN1; SMN2LMNA
SCHEMBL9584706 0.79 PPARA (0.69) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL9442186 0.79 FDPS (0.90) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL29568186 0.78 FDPS (0.81) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL92184 0.78 FDPS (0.81) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL9442183 0.77 FDPS (0.87) FDPSALDH1A1MAPTHPGDL3MBTL1

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