SCHEMBL29953320

SCHEMBL29953320

OB(O)c1cccc2cccc(OC(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
LIPE Q05469 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
NR1I2 O75469 1/20 0.31

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
SCHEMBL29957051 0.80 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL28867090 0.80 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL14746822 0.80 ENPP2 (0.57) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29469117 0.80 ENPP2 (0.57) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29952273 0.79 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29954596 0.77 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL2452517 0.77 ALDH1A1 (0.42) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29955287 0.76 ENPP2 (0.40) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29951489 0.75 IRAK4 (0.39) ENPP2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL13318284 0.74 ALDH1A1 (0.45) ENPP2ORAI1ORAI2ORAI3L3MBTL1

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