SCHEMBL702949

SCHEMBL702949

C=COC[C@H]1CC[C@@H](Cc2cc(C(=O)O)ccc2C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
PPM1D O15297 2/20 0.37
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GRIK1 P39086 2/20 0.33
HTR7 P34969 1/20 0.33
MAP4K4 O95819 1/20 0.33
ACE2 Q9BYF1 2/20 0.33
PTPN1 P18031 1/20 0.33
TSHR P16473 1/20 0.32
PTGER4 P35408 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL2456726 1.00 NR1H4 (0.38) NR1H4PPM1DPARP15PARP10PARP2
SCHEMBL3722748 0.84 GRIK1 (0.46) PPM1DGRIK1TSHR
SCHEMBL216951 0.82 PARP15 (0.32) PARP15PARP10PARP2
SCHEMBL6049060 0.81 NR1H4 (0.38) NR1H4PARP15PARP10PARP2KDM4E
SCHEMBL1389367 0.80
SCHEMBL29446092 0.79 PPM1D (0.49) PPM1DKDM4EACE2PTPN1
SCHEMBL3853181 0.78 PPM1D (0.51) PPM1DKDM4E
SCHEMBL2426837 0.76 PPM1D (0.41) NR1H4PPM1DPARP15PARP10PARP2
SCHEMBL2456728 0.76 DRD2 (0.44) NR1H4PARP15PARP10PARP2
SCHEMBL3722750 0.75 PPM1D (0.40) PPM1DKDM4E

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-2223976-B1 Method of forming images using curable ink with gellant XEROX CORP (US) 2012-09-05 EP disclosed
US-8123347-B2 Method of forming images using curable ink with gellant XEROX CORPORATION (US) 2012-02-28 US disclosed
US-20100221510-A1 METHOD OF FORMING IMAGES USING CURABLE INK WITH GELLANT XEROX CORPORATION (US) 2010-09-02 US disclosed
EP-2223976-A1 Method of forming images using curable ink with gellant Xerox Corporation (US) 2010-09-01 EP disclosed