SCHEMBL9026029

SCHEMBL9026029

COc1c(CO)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
DAPK1 P53355 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
MAOB P27338 1/20 0.32
PPARG P37231 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
PDE5A O76074 1/20 0.32
MAPT P10636 1/20 0.31
NOD2 Q9HC29 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
SCHEMBL9026201 0.91 LMNA (0.38) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026581 0.91 ALDH1A1 (0.37) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026486 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026857 0.89 MAPK1 (0.37) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9470458 0.88 ALDH1A1 (0.36) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9027006 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026053 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026887 0.86 TSHR (0.40) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026233 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPK1HPGD
SCHEMBL9026948 0.86 LMNA (0.39) ALDH1A1LMNAHTTMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7309845-A None JP disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
JP-H07309845-A NEW PRODUCTION OF PYRAZINE DERIVATIVE WAKO PURE CHEM IND LTD 1995-11-28 JP disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed