SCHEMBL9700172

SCHEMBL9700172

Cn1ccc(=O)c(O)c1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
KDM6A O15550 1/20 0.53
KDM4A O75164 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM5C P41229 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
DOHH Q9BU89 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
MMP1 P03956 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
COMT P21964 2/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL9700190 0.83 KDM4E (0.56) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4546216 0.81 KDM4E (0.58) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL9701454 0.81 KDM4E (0.44) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL867532 0.78 KDM4E (0.55) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL869287 0.77 KDM4E (0.62) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL6995058 0.77 KDM4E (0.62) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4600717 0.76 FFAR1 (0.40) KDM4EFFAR1HDAC6KEAP1ALDH1A1
Hydrochloric Acid SCHEMBL6997040 0.75 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10404502 0.75 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL8615538 0.75 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP disclosed