SCHEMBL6881407

SCHEMBL6881407

COCOc1cccc(/C(C)=N/OCC(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
FURIN P09958 1/20 0.34
PTBP1 P26599 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
SCHEMBL6158301 1.00 NPC1 (0.42) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL6879640 0.78 KDM4E (0.44) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL6155720 0.78 KDM4E (0.44) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL6878835 0.78 NR4A2 (0.44) NPC1RAB9AL3MBTL1PPARGPPARA
SCHEMBL6155669 0.78 NPC1 (0.51) NPC1RAB9AHIF1AALDH1A1GAA
SCHEMBL6155665 0.78 NPC1 (0.51) NPC1RAB9AHIF1AALDH1A1GAA
SCHEMBL6878832 0.77 VDR (0.52) HIF1AMAOBMAOANR4A1NR4A2
SCHEMBL6157088 0.77 VDR (0.52) HIF1AMAOBMAOANR4A1NR4A2
SCHEMBL7639971 0.71 MAOB (0.43) NPC1RAB9AMAOBMAOAKMT2A
SCHEMBL30442255 0.71 MAOB (0.62) NPC1RAB9AALDH1A1MAOBMAOA

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
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed