SCHEMBL2560746

SCHEMBL2560746

CC(C)CCCOCCOc1cccc(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.46
HRH3 Q9Y5N1 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GALR3 O60755 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2559788 0.86 ENPP2 (0.54) ENPP2MAPK1TSHRTDP1L3MBTL1
SCHEMBL4508412 0.85 ENPP2 (0.56) ENPP2MAPK1TSHRALDH1A1TDP1
SCHEMBL2563645 0.84 ENPP2 (0.46) ENPP2MAPK1TSHRALDH1A1TDP1
SCHEMBL2560572 0.83 ENPP2 (0.49) ENPP2MAPK1TSHRALDH1A1TDP1
SCHEMBL2560149 0.83 RARB (0.43) ENPP2MAPK1ALDH1A1TDP1KDM4E
SCHEMBL29958198 0.82 TSHR (0.52) ENPP2MAPK1TSHRALDH1A1LMNA
SCHEMBL2557585 0.77 ENPP2 (0.45) ENPP2MAPK1TSHRALDH1A1KDM4E
SCHEMBL19806820 0.77 MAPK1 (0.50) MAPK1TSHRALDH1A1TDP1L3MBTL1
SCHEMBL177358 0.76 ENPP2 (0.58) ENPP2TSHR
SCHEMBL6586842 0.76 ENPP2 (0.62) ENPP2MAPK1TSHRALDH1A1KDM4E

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