SCHEMBL29954596

SCHEMBL29954596

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
LIPE Q05469 1/20 0.39
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
DRD1 P21728 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
NR1I2 O75469 1/20 0.32

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
SCHEMBL29955431 0.89 ENPP2 (0.37) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29469117 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL14746822 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29952273 0.80 ENPP2 (0.42) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL2452517 0.79 ALDH1A1 (0.42) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29953320 0.77 ENPP2 (0.40) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29957360 0.77 ENPP2 (0.63) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29595177 0.76 MAPT (0.44) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL2399704 0.76 MAPT (0.44) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29953300 0.75 ENPP2 (0.41) ENPP2LIPEORAI1ORAI2ORAI3

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