SCHEMBL29958205

SCHEMBL29958205

OB(O)c1ccccc1OCc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.75
ENPP2 Q13822 2/20 0.57
ABCB1 P08183 2/20 0.53
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IKBKB O14920 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
HSD17B10 Q99714 2/20 0.42
SCD O00767 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL29591898 0.86 LIPE (1.00) LIPEENPP2LMNAMAPTMAPK1
SCHEMBL132403 0.86 LIPE (1.00) LIPEENPP2LMNAMAPTMAPK1
SCHEMBL2560073 0.84 LIPE (0.53) LIPEENPP2ABCB1LTA4HIDO1
SCHEMBL29957711 0.83 LIPE (0.69) LIPEENPP2ALDH1A1LMNAMAPK1
SCHEMBL29954070 0.81 LIPE (0.50) LIPEENPP2ABCB1ALDH1A1LMNA
SCHEMBL2559341 0.81 LIPE (0.77) LIPEENPP2ALDH1A1SMN1; SMN2MAPT
SCHEMBL30631479 0.81 LIPE (0.77) LIPEENPP2ALDH1A1LMNASMN1; SMN2
SCHEMBL9893416 0.81 LIPE (0.77) LIPEENPP2ALDH1A1LMNASMN1; SMN2
SCHEMBL31530944 0.81 LIPE (0.66) LIPEENPP2ABCB1ALDH1A1LMNA
SCHEMBL2557075 0.80 LIPE (0.75) LIPEENPP2ALDH1A1LMNASMN1; SMN2

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