SCHEMBL8939333

SCHEMBL8939333

C=C(CCCCOc1ccccc1-c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
KMT2A Q03164 5/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MMP3 P08254 1/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP2 P08253 1/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL19458668 0.87 KDM4E (0.60) KDM4EKMT2AGAAALDH1A1MEN1
SCHEMBL9953483 0.86 KDM4E (0.59) KDM4EKMT2AGAAALDH1A1MEN1
SCHEMBL19458858 0.86 KDM4E (0.59) KDM4EKMT2AGAAALDH1A1MEN1
SCHEMBL450012 0.83 LMNA (0.58) KDM4EKMT2AGAAALDH1A1MEN1
SCHEMBL4846755 0.82 MMP3 (0.65) ALDH1A1MMP3HDAC1HDAC2MMP2
SCHEMBL8670844 0.82 MMP3 (0.69) KDM4EALDH1A1PTGDR2MMP3HDAC1
SCHEMBL4408915 0.81 HDAC1 (0.66) ALDH1A1MMP3HDAC1HDAC2MMP2
SCHEMBL1274377 0.81 HDAC1 (0.66) ALDH1A1MMP3HDAC1HDAC2MMP2
SCHEMBL8939365 0.81 IRAK4 (0.39) KDM4EALDH1A1PTGDR2FFAR4MMP2
SCHEMBL6743567 0.81 KDM4E (0.46) KDM4EKMT2AGAAALDH1A1MEN1

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-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed