SCHEMBL10793426

SCHEMBL10793426

CC(=O)/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.73
▸ MAPT P10636 7/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.62
▸ CXCL12 P48061 1/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ MAOB P27338 3/20 0.57
▸ STAT3 P40763 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ATM Q13315 1/20 0.53

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
SCHEMBL10793430 1.00 KDM4E (0.73) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL2027162 0.90 KDM4E (0.70) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL2046554 0.90 KDM4E (0.70) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL2632244 0.90 KDM4E (0.70) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL2730201 0.85 KDM4E (1.00) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL2730205 0.85 KDM4E (1.00) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL24593725 0.83 KDM4E (0.73) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL3209529 0.83 KDM4E (0.73) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL3209559 0.83 KDM4E (0.73) KDM4EMAPTRAB9ANPC1NPSR1
Hydrochloric Acid SCHEMBL28538962 0.83 KDM4E (0.97) KDM4EMAPTRAB9ANPC1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095330-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1987-11-19 — — EP disclosed
US-4511391-A Cyclohexane-1,3-dione derivatives and their herbicidal compositions and methods ICI AUSTRALIA LIMITED (AU) 1985-04-16 — — US disclosed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 — — EP disclosed
Send feedback