SCHEMBL9164491

SCHEMBL9164491

CCc1c(C(=O)OC)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PADI4 Q9UM07 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9026198 0.78 LMNA (0.39) ALDH1A1LMNAKDM4EGAAHTT
SCHEMBL9026846 0.74 FBP1 (0.31)
SCHEMBL9026413 0.74 LMNA (0.40) ALDH1A1LMNAKDM4EGAAHTT
SCHEMBL9026344 0.67
SCHEMBL13751489 0.59 XDH (0.44) ALDH1A1KDM4EGAAKDM4C
SCHEMBL16210289 0.59 KDM4C (0.37) ALDH1A1LMNAKDM4EGAANPSR1
SCHEMBL31094879 0.58 GLA (0.43) ALDH1A1LMNAKDM4EGAAHTT
SCHEMBL13751491 0.57 FBP1 (0.43) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL2565733 0.57 NPSR1 (0.36) ALDH1A1LMNAKDM4EGAAHTT
SCHEMBL1224786 0.55 TYMP (0.45) ALDH1A1KDM4EGAAHTTNPSR1

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
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed