SCHEMBL3465068

SCHEMBL3465068

CCCn1nc(Cc2ccc(C)cc2)cc1COC(=O)c1ccc(SC(C)CC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
MAPT P10636 9/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP2C9 P11712 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL3467076 0.84 THRB (0.36) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2821656 0.83 TBXAS1 (0.36) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2820072 0.79 ALDH1A1 (0.35) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2821658 0.79 MAPT (0.42) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2822454 0.75 PPARA (0.40) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2819988 0.71 SMN1; SMN2 (0.41) THRBMAPTALDH1A1CYP2C9HPGD
SCHEMBL2820147 0.71 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9HPGDKDM4E
SCHEMBL2820153 0.71 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9HPGDKDM4E
SCHEMBL2821913 0.71 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9HPGDKDM4E
SCHEMBL12240275 0.69 KMT2A (0.53) MAPTALDH1A1HPGDPOLBL3MBTL1

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