SCHEMBL31088807

SCHEMBL31088807

CCOC(=O)CC1(C=O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
UGT2B7 P16662 2/20 0.32
MEN1 O00255 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
SCHEMBL6545242 0.98 KDM4E (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL27300102 0.92 GAA (0.43) GAAMGAMSIMGAM2KDM4E
SCHEMBL31089194 0.84 TSHR (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL27497690 0.83 KDM4E (0.45) GAAMGAMSIMGAM2KDM4E
SCHEMBL9796453 0.82 KDM4E (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL6544313 0.80 KDM4E (0.39) GAAMGAMSIMGAM2KDM4E
SCHEMBL28567972 0.79 CYP3A4 (0.35) GAAMGAMSIMGAM2KMT2A
SCHEMBL6545234 0.79 CYP3A4 (0.35) GAAMGAMSIMGAM2KMT2A
SCHEMBL14559645 0.77 GAA (0.36) GAAMGAMSIMGAM2KDM4E
SCHEMBL6545165 0.77 ALDH1A1 (0.38) GAAALDH1A1

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
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed