SCHEMBL9470458

SCHEMBL9470458

CCCCOc1c(CO)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9026857 0.91 MAPK1 (0.37) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9471332 0.90 TLR8 (0.35) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026029 0.88 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026201 0.86 LMNA (0.38) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9027641 0.85 ABCB1 (0.36) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026233 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026053 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026887 0.82 TSHR (0.40) ALDH1A1TSHRMAPK1LMNAHPGD
SCHEMBL9026084 0.81 KCNA5 (0.38) MEN1KMT2A
SCHEMBL9025976 0.81 PDE4A (0.35) ALDH1A1TSHRMAPK1LMNAHPGD

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
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