SCHEMBL9025976

SCHEMBL9025976

CC(C)Cc1c(OCc2ccccc2)nc(CO)c(OC2CCCCC2)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HTR2C P28335 4/20 0.34
SLC6A4 P31645 4/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 3/20 0.33
C5AR1 P21730 1/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL9026181 0.91 HTR2C (0.33) PDE4AALDH1A1LMNAHPGDTSHR
SCHEMBL9026300 0.87 PDE4A (0.33) PDE4AHTR2CSLC6A4CNR2CNR1
SCHEMBL9026029 0.85 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026203 0.83 KCNA5 (0.36) ALDH1A1LMNAMAPK1HTT
SCHEMBL9026201 0.83 LMNA (0.38) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9470458 0.81 ALDH1A1 (0.36) PDE4AALDH1A1LMNAHPGDTSHR
SCHEMBL9026887 0.79 TSHR (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026233 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026581 0.77 ALDH1A1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026362 0.76 KDM4C (0.35) HTR2CSLC6A4HTR2A

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 5 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
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