SCHEMBL28246306

SCHEMBL28246306

COc1ccc(OCC#CCOc2ccc(OC)cc2C=O)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 7/20 0.53
ERN1 O75460 1/20 0.51
TUBB1 Q9H4B7 1/20 0.50
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP1A2 P05177 3/20 0.42
NFE2L2 Q16236 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8314602 0.88 KDM4E (0.51) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL28246323 0.87 ALDH1A1 (0.67) KDM4EALDH1A1ERN1TRIM24TYR
SCHEMBL20488634 0.83 KDM4E (0.59) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL27500190 0.82 KDM4E (0.58) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL28676135 0.82 ALDH1A1 (0.54) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL3221472 0.82 BACE1 (0.58) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL172939 0.81 ALDH1A1 (0.71) KDM4EALDH1A1ERN1TUBB1TRIM24
SCHEMBL29392394 0.81 ALDH1A1 (0.71) KDM4EALDH1A1ERN1TUBB1TRIM24
SCHEMBL1808738 0.81 KDM4E (0.53) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL9155251 0.81 KDM4E (0.56) KDM4ERAB9AALDH1A1ERN1TUBB1

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
CN-108570030-A A kind of preparation method of the double chromone derivatives of natural products 西北大学 2018-09-25 CN disclosed