SCHEMBL6087774

SCHEMBL6087774

CCN(CC)CC(O)COc1ccc(C(C)ON2C(C)(C)CC3(CC2(C)C)OCC(C)(C)CO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 4/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TSHR P16473 1/20 0.34
ABCB11 O95342 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.33
ABCB1 P08183 1/20 0.33
NPC1 O15118 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
LMNA P02545 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
SCHEMBL6088132 0.90 HIF1A (0.41) ALDH1A1MAPK1KDM4EKMT2ALMNA
SCHEMBL6087501 0.85 KMT2A (0.48) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL6089141 0.83 KMT2A (0.54) MAPTPOLBALDH1A1KDM4ETSHR
SCHEMBL6470211 0.83 KMT2A (0.30) MAPK1KMT2A
SCHEMBL12387763 0.77 ACACB (0.36)
SCHEMBL974405 0.76 ALDH1A1 (0.39) MAPTALDH1A1TDP1GAATSHR
SCHEMBL976664 0.76 HSD11B1 (0.32)
SCHEMBL975149 0.75 LMNA (0.34) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL13715800 0.73 HSD11B1 (0.31)
SCHEMBL974403 0.72 TP53 (0.35) MAPTALDH1A1TDP1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144691-B2 Color photographic recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-12-05 US disclosed
US-20050079455-A1 Colour photographic recording material CIBA SPECIALTY CHEMICALS CORP. 2005-04-14 US disclosed