SCHEMBL28147239

SCHEMBL28147239

Cc1ncc(C(=O)O)c(=O)n1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GFER P55789 1/20 0.48
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 4/20 0.45
APP P05067 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CASR P41180 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44

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
SCHEMBL27885541 0.76 MEN1 (0.47) MEN1KMT2AGFERCYP3A4CASR
SCHEMBL13120820 0.74 MAPK8 (0.49) KMT2ACYP3A4L3MBTL1ALDH1A1KDM4E
SCHEMBL9894694 0.73 ALDH1A1 (0.52) MEN1KMT2ACYP3A4CYP2C9L3MBTL1
SCHEMBL7233738 0.72 ALDH1A1 (0.40) MEN1KMT2AGFERCYP3A4L3MBTL1
SCHEMBL23900461 0.72 KDM4E (0.47) KMT2AL3MBTL1ALDH1A1KDM4EKDM6B
SCHEMBL5029838 0.72 MEN1 (0.52) MEN1KMT2AGFERCYP3A4CYP2C9
SCHEMBL11768659 0.71 KDM4E (0.50) CYP2C9L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL15998952 0.71 ALDH1A1 (0.74) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL11606824 0.70 ADORA1 (0.54) KDM4EADORA2B
SCHEMBL5748764 0.70 MEN1 (1.00) MEN1KMT2AGFERCYP3A4CYP2C9

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
CN-106587201-A Rapidly-assembled sewage treatment tower for emergency and working method therefor 徐州工程学院 2017-04-26 CN disclosed