SCHEMBL10696993

SCHEMBL10696993

Cc1ccc(OCCN2CCCC(OC(N)=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HRH3 Q9Y5N1 4/20 0.49
KCNA5 P22460 3/20 0.49
SLC6A11 P48066 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45

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
SCHEMBL10695808 0.88 KDM4E (0.48) KDM4EALDH1A1LMNAHRH3KCNA5
SCHEMBL10695019 0.87 KDM4E (0.53) KDM4EALDH1A1LMNAHRH3KCNA5
SCHEMBL10695529 0.86 HRH3 (0.55) KDM4EALDH1A1LMNAHRH3KCNA5
Hydrochloric Acid SCHEMBL10691702 0.81 KCNA5 (0.48) KDM4EALDH1A1LMNAHRH3KCNA5
SCHEMBL10697150 0.78 KDM4E (0.56) KDM4EALDH1A1LMNAHRH3GAA
SCHEMBL8973715 0.77 KDM4E (0.78) KDM4EALDH1A1LMNAHRH3GAA
SCHEMBL10696841 0.77 HRH3 (0.54) KDM4EALDH1A1LMNAHRH3KCNA5
Oxalic Acid SCHEMBL10695599 0.76 KDM4E (0.59) KDM4EALDH1A1LMNAHRH3GAA
SCHEMBL10700027 0.76 HRH3 (0.53) KDM4EALDH1A1LMNAHRH3KCNA5
SCHEMBL10695426 0.76 KDM4E (0.56) KDM4EALDH1A1LMNAKCNA5GAA

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
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed