SCHEMBL7511904

SCHEMBL7511904

CCc1c(OC)ccc(C(=O)C(=O)O)c1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 2/20 0.38
PARP2 Q9UGN5 1/20 0.36
PI4KB Q9UBF8 1/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL11560765 0.75 MAPT (0.46) KDM4ELMNAKMT2AMAPTTSHR
SCHEMBL5444623 0.72 TDP1 (0.50) KDM4ELMNAMAPTALDH1A1L3MBTL1
SCHEMBL999403 0.71 LMNA (0.55) KDM4ELMNAALOX12KMT2AMAPT
SCHEMBL2007845 0.70 CA12 (0.46) LMNAKMT2ATP53ALDH1A1GAA
SCHEMBL27733088 0.70 KDM4E (0.49) KDM4ELMNAALOX12KMT2AMAPT
SCHEMBL19705421 0.68 MAPT (0.51) KDM4EMAPTTSHRALOX15ALDH1A1
SCHEMBL26092394 0.68 KDM4E (0.49) KDM4ELMNAALOX12KMT2APARP2
SCHEMBL30361205 0.68 KDM4E (0.49) KDM4ELMNAALOX12KMT2APARP2
SCHEMBL8473544 0.68 LMNA (0.41) KDM4ELMNAALOX12KMT2AMAPT
SCHEMBL1031322 0.67 LTB4R (0.53) KDM4ELMNAALOX12KMT2AALDH1A1

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-0731091-B1 2-OXOINDOLINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS TANABE SEIYAKU CO (JP) 2002-01-02 EP disclosed
US-5807883-A GASTROINTESTINAL DISORDERS; PANCREATITIS TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
EP-0731091-A1 2-OXOINDOLINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 1996-09-11 EP disclosed