SCHEMBL2561427

SCHEMBL2561427

CN(CCOc1cccc(B(O)O)c1)CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
LSS P48449 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA1A P35348 2/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
ADRA1B P35368 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2555765 0.85 LSS (0.46) ENPP2LSSADRA1AADRA1B
SCHEMBL2556116 0.82 ENPP2 (0.44) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL3652437 0.79 CHRNB2 (0.64) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL3292159 0.77 NFE2L2 (0.50) ENPP2ALDH1A1LMNA
SCHEMBL2556553 0.77 ENPP2 (0.43) ENPP2CHRNB2CHRNA4ADRA1AADRA1B
SCHEMBL2562067 0.76 ENPP2 (0.49) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2557585 0.76 ENPP2 (0.45) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2562215 0.76 LPL (0.47) ENPP2CHRNB2CHRNA4ALDH1A1
SCHEMBL15329634 0.76 ENPP2 (0.45) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL3292134 0.74 ENPP2 (0.49) ENPP2

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