SCHEMBL17150475

SCHEMBL17150475

CC(=O)c1ccc(OCC2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.56
PARP10 Q53GL7 4/20 0.56
PARP2 Q9UGN5 2/20 0.56
ACACB O00763 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
MCHR1 Q99705 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SLC2A1 P11166 1/20 0.47
MAOB P27338 2/20 0.46

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
SCHEMBL2087536 0.89 PARP15 (0.70) PARP15PARP10PARP2ACACBL3MBTL1
SCHEMBL12420708 0.86 PARP15 (0.58) PARP15PARP10PARP2ACACBMCHR1
SCHEMBL4117982 0.86 PARP10 (0.71) PARP15PARP10PARP2L3MBTL1ALDH1A1
SCHEMBL6958286 0.84 PARP10 (0.72) PARP15PARP10PARP2L3MBTL1ALDH1A1
SCHEMBL28866432 0.84 L3MBTL1 (0.54) PARP15PARP10PARP2L3MBTL1ALDH1A1
SCHEMBL22386747 0.84 PARP15 (0.52) PARP15PARP10PARP2ACACBMCHR1
SCHEMBL17150425 0.82 PARP15 (0.54) PARP15PARP10PARP2ACACBGAA
SCHEMBL7733823 0.82 PARP15 (0.66) PARP15PARP10PARP2L3MBTL1ALDH1A1
SCHEMBL7737448 0.82 PARP10 (0.66) PARP15PARP10PARP2L3MBTL1ALDH1A1
SCHEMBL13096941 0.80 ALDH1A1 (0.43) PARP15PARP10PARP2ACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed