SCHEMBL3467076

SCHEMBL3467076

CCCn1nc(Cc2ccc(C)cc2)cc1COC(=O)c1ccc(SCC(C)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 7/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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
SCHEMBL3465068 0.84 THRB (0.38) THRBL3MBTL1POLBTSHRALDH1A1
SCHEMBL2821656 0.83 TBXAS1 (0.36) THRBL3MBTL1POLBTSHRALDH1A1
SCHEMBL2820072 0.79 ALDH1A1 (0.35) THRBL3MBTL1POLBTSHRALDH1A1
SCHEMBL2821658 0.79 MAPT (0.42) THRBL3MBTL1POLBALDH1A1HPGD
SCHEMBL2822454 0.75 PPARA (0.40) THRBL3MBTL1POLBTSHRALDH1A1
SCHEMBL2821913 0.71 ALDH1A1 (0.37) POLBALDH1A1HPGDKDM4EKMT2A
SCHEMBL2820153 0.71 ALDH1A1 (0.37) POLBALDH1A1HPGDKDM4EKMT2A
SCHEMBL2820147 0.71 ALDH1A1 (0.37) POLBALDH1A1HPGDKDM4EKMT2A
SCHEMBL2819988 0.70 SMN1; SMN2 (0.41) THRBL3MBTL1POLBTSHRALDH1A1
SCHEMBL12240333 0.69 HPGD (0.49) L3MBTL1ALDH1A1HPGDKMT2ACYP2C9

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
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed