SCHEMBL7836669

SCHEMBL7836669

C=CC[C@@H]1[C@H](O)[C@@H](O)C(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EHMT2 Q96KQ7 1/20 0.44
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ELANE P08246 2/20 0.39
CES2 O00748 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 1/20 0.37
FUCA1 P04066 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL7836666 1.00 MEN1 (0.47) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL4606172 0.82 MEN1 (0.53) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7536658 0.82 MEN1 (0.53) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7847727 0.79 MEN1 (0.50) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7847725 0.79 MEN1 (0.50) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL19387511 0.77 MEN1 (0.58) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL17961690 0.72 EHMT2 (0.45) MEN1KMT2AEHMT2ELANEGSK3A
SCHEMBL7849017 0.70 THRB (0.38) MEN1KMT2AEHMT2ELANECES2
SCHEMBL28273174 0.70 TSHR (0.48) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL21066468 0.69 BCHE (0.43) MEN1KMT2AEHMT2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed