SCHEMBL4790018

SCHEMBL4790018

NNC(=O)CCC1OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CTSD P07339 1/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4412118 0.84 POLB (0.38) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL1003433 0.78
SCHEMBL4412282 0.75 CTSD (0.38) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL4419625 0.75 CTSD (0.33) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL4411159 0.75 USP2 (0.51) KDM4EPOLBHTTALDH1A1CYP3A4
SCHEMBL964897 0.74 ALDH1A1 (0.43) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL31715928 0.73
SCHEMBL2578186 0.72 LMNA (0.40) POLBHTTALDH1A1L3MBTL1LMNA
SCHEMBL7706684 0.70 ALDH1A1 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL27836278 0.70 TSHR (0.36) ALDH1A1TP53

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed