SCHEMBL4740156

SCHEMBL4740156

O=C(O)C=CC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
MAPT P10636 7/20 0.90
SMN1; SMN2 Q16637 3/20 0.90
L3MBTL1 Q9Y468 2/20 0.90
POLB P06746 1/20 0.90
LPAR2 Q9HBW0 2/20 0.85
LPAR3 Q9UBY5 2/20 0.85
LPAR1 Q92633 1/20 0.85
TGM2 P21980 1/20 0.69
KDM4E B2RXH2 2/20 0.68
LMNA P02545 3/20 0.68
THRB P10828 2/20 0.68
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NPC1 O15118 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL4740155 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL18514204 0.92 LPAR2 (1.00) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL23966420 0.87 ALDH1A1 (0.84) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL12650708 0.87 ALDH1A1 (0.84) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL21758069 0.85 MTNR1A (0.74) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL22664021 0.85 LPAR2 (0.85) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL22658792 0.84 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL1169889 0.84 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL2831352 0.84 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL1683255 0.84 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB

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
WO-2008092681-A1 GHRELIN RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2008-08-07 WO disclosed