SCHEMBL2553467

SCHEMBL2553467

COc1cccc(-c2coc(B(O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.49
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 1/20 0.44
CYP2F1 P24903 1/20 0.44
CYP2C18 P33260 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44

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
SCHEMBL2556436 0.82 NPC1 (0.46) ENPP2HDAC4HDAC8ERN1ABL1
SCHEMBL2561979 0.79 ENPP3 (0.44) ABCB1ALDH1A1HPGDNPC1RAB9A
SCHEMBL28924003 0.77 ALDH1A1 (0.52) HDAC4HDAC8ALDH1A1HPGDKMT2A
SCHEMBL29742870 0.77 ALDH1A1 (0.52) HDAC4HDAC8ALDH1A1HPGDKMT2A
SCHEMBL2556834 0.77 ESR2 (0.47) CYP3A4NOTUM
SCHEMBL29955359 0.76 MGLL (0.45) ENPP2ALDH1A1KDM4E
SCHEMBL196765 0.75 CYP3A4 (0.73) HDAC4HDAC8CYP1A1CYP1A2CYP2E1
SCHEMBL29489425 0.75 CYP3A4 (0.73) HDAC4HDAC8CYP1A1CYP1A2CYP2E1
SCHEMBL28060965 0.75 ENPP2 (0.85) ENPP2HDAC4HDAC8CYP1A1CYP1A2
SCHEMBL20262887 0.73 ENPP2 (0.65) ENPP2HDAC4HDAC8CYP1A1CYP1A2

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