SCHEMBL8301042

SCHEMBL8301042

C/C=C(/C(=O)OCC)C1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.47
ANO1 Q5XXA6 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNQ2 O43526 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 2/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
ROCK1 Q13464 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL19985038 0.91 PIN1 (0.46) PIN1ANO1MEN1KMT2AKCNQ2
SCHEMBL21538694 0.83 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1FFAR1
SCHEMBL7419740 0.82 PIN1 (0.51) PIN1ANO1KCNQ2L3MBTL1ALDH1A1
SCHEMBL21538768 0.82 ANO1 (0.41) PIN1ANO1MEN1KMT2AL3MBTL1
SCHEMBL4720088 0.81 PIN1 (0.52) PIN1MEN1KMT2AALDH1A1MAPT
SCHEMBL23934559 0.81 PIN1 (0.38) PIN1ANO1MEN1KMT2AKCNQ2
SCHEMBL19985047 0.81 PIN1 (0.38) PIN1ANO1MEN1KMT2AKCNQ2
SCHEMBL19984944 0.79 NFE2L2 (0.38) PIN1ANO1L3MBTL1ALDH1A1MAPT
SCHEMBL19984922 0.79 PIN1 (0.37) PIN1ANO1L3MBTL1ALDH1A1MAPT
SCHEMBL19985034 0.77 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
CN-1107844-A Indane derivative, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO (JP) 1995-09-06 CN disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed