SCHEMBL15329634

SCHEMBL15329634

CN(CCOc1cccc(B(O)O)c1)CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.39
PDK2 Q15119 2/20 0.38
FDPS P14324 2/20 0.37
KCNH2 Q12809 1/20 0.36
CACNA1B Q00975 2/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 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
SCHEMBL2560769 0.83 KCNH2 (0.40) ENPP2CHRNB2CHRNA4MGLLFDPS
SCHEMBL3652437 0.82 CHRNB2 (0.64) ENPP2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL2562215 0.79 LPL (0.47) ENPP2ALDH1A1CHRNB2CHRNA4FDPS
SCHEMBL2562067 0.79 ENPP2 (0.49) ENPP2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL2557585 0.79 ENPP2 (0.45) ENPP2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL29951590 0.76 KDM4E (0.58) ENPP2KDM4ETSHRESR1
SCHEMBL2561427 0.76 ENPP2 (0.42) ENPP2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL26995673 0.75 TAAR1 (0.49) ALDH1A1KDM4ECHRNB2CHRNA4KCNH2
SCHEMBL1330774 0.75 ENPP2 (0.53) ENPP2ALDH1A1KDM4EMGLLLMNA
SCHEMBL29951803 0.75 ENPP2 (0.50) ENPP2ALDH1A1KDM4ECHRNB2CHRNA4

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 5 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