SCHEMBL11015630

SCHEMBL11015630

CC(=O)Oc1ccc(C(=O)CBr)c(OC(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.66
▸ MAPT P10636 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ELANE P08246 4/20 0.43
▸ CFD P00746 2/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ACHE P22303 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
SCHEMBL14812604 0.81 HPGDS (0.43) KDM4EMAPTMAPK1ELANEHPGDS
SCHEMBL11386187 0.81 KDM4E (0.77) KDM4EMAPTMAPK1ELANELMNA
SCHEMBL19484789 0.81 MAPT (0.78) KDM4EMAPTMAPK1ELANECFD
SCHEMBL5603081 0.80 KDM4E (1.00) KDM4EMAPTMAPK1ELANECFD
SCHEMBL8050658 0.78 PTGS2 (0.62) KDM4EMAPK1CFDHPGDSLMNA
SCHEMBL7941782 0.78 KDM4E (0.72) KDM4EMAPTMAPK1ELANECFD
SCHEMBL14744132 0.78 KDM4E (0.72) KDM4EMAPTMAPK1ELANECFD
SCHEMBL7952926 0.77 KDM4E (0.70) KDM4EMAPTMAPK1ELANELMNA
SCHEMBL624930 0.77 SMN1; SMN2 (0.61) KDM4EMAPTHPGDSLMNANPC1
SCHEMBL29799615 0.77 SMN1; SMN2 (0.61) KDM4EMAPTHPGDSLMNANPC1

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-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 — — US disclosed
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