SCHEMBL29954928

SCHEMBL29954928

OB(O)c1ccc(OC(F)(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
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33
EPHX2 P34913 1/20 0.33
BRD4 O60885 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PDE2A O00408 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 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
SCHEMBL29953300 0.89 ENPP2 (0.41) ENPP2LIPERXRARXRBRXRG
SCHEMBL29955034 0.78 DYRK1A (0.40) MAPTALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL3188971 0.77 ENPP2 (0.57) ENPP2MAPTALDH1A1HSD17B10ORAI1
SCHEMBL264406 0.77 ENPP2 (0.57) ENPP2LIPERXRARXRBRXRG
SCHEMBL29417492 0.77 ENPP2 (0.57) ENPP2LIPERXRARXRBRXRG
SCHEMBL29953225 0.77 ENPP2 (0.57) ENPP2MAPTALDH1A1HSD17B10ORAI1
SCHEMBL29875461 0.76 MAPT (0.50) ENPP2LIPEMAPTALDH1A1KDM4E
SCHEMBL1427222 0.76 MAPT (0.50) ENPP2LIPEMAPTALDH1A1KDM4E
SCHEMBL16852474 0.76 CYP1A2 (0.52) ALDH1A1L3MBTL1KCNK3KCNK9EPHX2
SCHEMBL29955431 0.75 ENPP2 (0.37) ENPP2LIPEMAPTALDH1A1KDM4E

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