SCHEMBL2558030

SCHEMBL2558030

COC(=O)c1[nH]c2cccc(OC)c2c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
KDM4E B2RXH2 12/20 0.57
HSD17B10 Q99714 9/20 0.57
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.49
HPGD P15428 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42

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
SCHEMBL29952454 0.84 KDM4E (0.46) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL2206205 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL8985827 0.80 KDM4E (0.60) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL29958116 0.80 TUBB4A (0.47) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL29655578 0.78 SLC2A1 (0.49) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL4074976 0.78 ABCG2 (0.49) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL2800262 0.77 KDM4E (0.57) ALDH1A1KDM4EHSD17B10MAPTGAA
Benzene SCHEMBL28244199 0.75 MEN1 (0.58) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL29955020 0.74 MEN1 (0.61) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL25792957 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPTGAA

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