SCHEMBL2554727

SCHEMBL2554727

CCOc1ccccc1C(=O)CC=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.59
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 1/20 0.46
ABCB1 P08183 1/20 0.45

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
SCHEMBL2554328 0.83 NPC1 (0.58) L3MBTL1GLAKMT2AHTTLMNA
SCHEMBL3029800 0.82 HCRTR1 (0.62) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL1448831 0.81 HCRTR1 (0.60) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL28779453 0.79 HCRTR1 (0.58) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL3029796 0.79 HCRTR1 (0.58) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL11601663 0.79 HCRTR1 (0.58) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL5051477 0.79 HCRTR1 (0.58) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL30454895 0.79 HCRTR1 (0.58) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL6969031 0.78 HCRTR1 (0.66) HCRTR1MAPTGAAMAPK1L3MBTL1
SCHEMBL11763044 0.78 HCRTR1 (0.66) HCRTR1MAPTGAAMAPK1L3MBTL1

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