SCHEMBL9026201

SCHEMBL9026201

CC(C)Cc1c(OCc2ccccc2)nc(CO)c(OC(C)C)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 1/20 0.33
DAPK1 P53355 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
PPARG P37231 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
PDE5A O76074 1/20 0.30
EDNRA P25101 1/20 0.30
MGMT P16455 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9026029 0.91 ALDH1A1 (0.40) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026771 0.89 ALDH1A1 (0.36) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026857 0.87 MAPK1 (0.37) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9470458 0.86 ALDH1A1 (0.36) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026887 0.84 TSHR (0.40) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026233 0.84 ALDH1A1 (0.40) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026053 0.84 ALDH1A1 (0.40) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026641 0.83 LMNA (0.39) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9025976 0.83 PDE4A (0.35) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL9026581 0.82 ALDH1A1 (0.37) LMNAALDH1A1HPGDTSHRMAPK1

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
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
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US 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