SCHEMBL29953300

SCHEMBL29953300

OB(O)c1cccc2c(OC(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
LIPE Q05469 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2R P25116 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29954928 0.89 ENPP2 (0.37) ENPP2LIPEKDM4EORAI1ORAI2
SCHEMBL29417492 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL264406 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29957207 0.80 ENPP2 (0.42) ENPP2LIPEKDM4EORAI1ORAI2
SCHEMBL4877157 0.80 ENPP2 (0.42) ENPP2LIPEKDM4EORAI1ORAI2
SCHEMBL29951241 0.80 ENPP2 (0.42) ENPP2LIPEKDM4EORAI1ORAI2
SCHEMBL29956867 0.80 ENPP2 (0.42) ENPP2LIPEKDM4EORAI1ORAI2
SCHEMBL29955371 0.79 ENPP2 (0.41) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL2446918 0.79 ENPP2 (0.41) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29955287 0.77 ENPP2 (0.40) ENPP2LIPEKDM4EORAI1ORAI2

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 1 patent. 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