SCHEMBL27920952

SCHEMBL27920952

C[C](C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.68
▸ HPGD P15428 7/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ GAA P10253 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ LMNA P02545 2/20 0.54
▸ ABCB1 P08183 1/20 0.53
▸ DPP4 P27487 2/20 0.48
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA9 Q16790 2/20 0.41
▸ GAPDH P04406 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CA12 O43570 1/20 0.39

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
Columbianetin SCHEMBL50251 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10
Columbianetin SCHEMBL20356593 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10
Columbianetin SCHEMBL21527679 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL30256774 0.76 KDM4E (0.79) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL12247775 0.76 KDM4E (0.79) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL31438609 0.76 KDM4E (0.79) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL19313395 0.75 DPP4 (0.59) KDM4EHPGDALDH1A1GAAHSD17B10
Lomatin SCHEMBL6273711 0.72 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10
(+)-Lomatin SCHEMBL29707947 0.72 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10
Columbianadin SCHEMBL14424509 0.71 KDM4E (1.00) KDM4EHPGDALDH1A1GAAHSD17B10

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-103109820-A Use of Columbianadin as agricultural insect antifeedant and pesticide INST BOTANY JIANGSU PROVINCE & CAS 2013-05-22 — — CN disclosed
Send feedback