SCHEMBL29955431

SCHEMBL29955431

OB(O)c1ccc(OC(F)F)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
LIPE Q05469 1/20 0.35
DRD1 P21728 1/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 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
SCHEMBL29954596 0.89 ENPP2 (0.41) ENPP2LIPEDRD1KMT2AMEN1
SCHEMBL14746822 0.77 ENPP2 (0.57) ENPP2LIPEDRD1KMT2ARAB9A
SCHEMBL29469117 0.77 ENPP2 (0.57) ENPP2LIPEDRD1KMT2ARAB9A
SCHEMBL29953225 0.77 ENPP2 (0.57) ENPP2MAPTKMT2AALDH1A1ORAI1
SCHEMBL3188971 0.77 ENPP2 (0.57) ENPP2MAPTKMT2AALDH1A1ORAI1
SCHEMBL1427222 0.76 MAPT (0.50) ENPP2LIPEMAPTKDM4EALDH1A1
SCHEMBL29875461 0.76 MAPT (0.50) ENPP2LIPEMAPTKDM4EALDH1A1
SCHEMBL15280393 0.76 CYP1A2 (0.52) DRD1MAPTKMT2AKDM4ENPC1
SCHEMBL29954928 0.75 ENPP2 (0.37) ENPP2LIPEMAPTKDM4EALDH1A1
SCHEMBL638326 0.74 PDE4A (0.39) DRD1MAPTKMT2APDE4APDE4B

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