SCHEMBL8798797

SCHEMBL8798797

COCOc1c(NC(=O)N(CCC2CCCCC2)c2ccc(N(C)C)cc2)cc(OC)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP3 P08254 1/20 0.35
ACHE P22303 1/20 0.34
PPARA Q07869 3/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HTT P42858 2/20 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
SCHEMBL281995 0.87 NPC1 (0.39) NPC1RAB9AMMP3ACHEPPARA
Hydrochloric Acid SCHEMBL6245752 0.86 NPC1 (0.39) NPC1RAB9AMMP3ACHEPPARA
SCHEMBL8799426 0.79 ACHE (0.42) NPC1RAB9AMMP3ACHEPPARA
SCHEMBL3740322 0.78 RAB9A (0.38) NPC1RAB9AMMP3ACHEPPARA
SCHEMBL8799725 0.78 ACHE (0.37) NPC1RAB9AACHEPPARATDP1
Hydrochloric Acid SCHEMBL8798679 0.78 HRH3 (0.33) RAB9AALDH1A1L3MBTL1GAAMAPT
SCHEMBL8797685 0.77 HDAC1 (0.34) PPARAALDH1A1PPARGPPARDHDAC1
SCHEMBL8804341 0.74 LMNA (0.34) NPC1PPARATDP1PPARGPPARD
SCHEMBL8797836 0.73 CTSS (0.38) ACHEPPARAPPARGPPARDMEN1
Hydrochloric Acid SCHEMBL8798772 0.73 TSHR (0.35) NPC1RAB9AALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed