SCHEMBL6438467

SCHEMBL6438467

Cc1ccc(C(=CCO)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6438458 1.00 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL6438461 1.00 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL4631622 0.91 NPC1 (0.50) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4631618 0.91 NPC1 (0.50) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL6418420 0.91 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTNPC1RAB9A
SCHEMBL6419224 0.89 RAB9A (0.44) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL6419227 0.89 RAB9A (0.44) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL6419987 0.89 RAB9A (0.44) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL6419890 0.87 ALDH1A1 (0.43) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4630812 0.78 MTNR1A (0.48) L3MBTL1TDP1ALDH1A1

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
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed