SCHEMBL4707906

SCHEMBL4707906

CCCCCC(CC)(CC)OC(CC)(CC)CCCCC.CCCCCCCCOCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LPAR3 Q9UBY5 5/20 0.36
LPAR1 Q92633 4/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR5 Q9H1C0 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL130209 0.87 TSHR (0.37) THRBCES2TSHRLPAR3LPAR1
SCHEMBL6652231 0.84 TSHR (0.42) THRBCES2TSHRLPAR3LPAR1
SCHEMBL29286569 0.84 TSHR (0.35) THRBCES2TSHRLPAR3LPAR1
Methoxymethane SCHEMBL28688110 0.82 TSHR (0.33) THRBCES2TSHRLPAR3LPAR1
SCHEMBL8663555 0.82 TSHR (0.40) THRBCES2TSHRLPAR3LPAR1
SCHEMBL9233911 0.82 TSHR (0.37) THRBCES2TSHRLPAR3LPAR1
SCHEMBL7189663 0.79 TSHR (0.47) THRBCES2TSHRLPAR3LPAR1
SCHEMBL8470352 0.79 TSHR (0.47) THRBCES2TSHRLPAR3LPAR1
SCHEMBL30381193 0.79 TSHR (0.47) THRBCES2TSHRLPAR3LPAR1
SCHEMBL28571235 0.79 TSHR (0.47) THRBCES2TSHRLPAR3LPAR1

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
EP-1426361-B2 Novel composition containing a bi-cyclic compound and a glyceride SUCAMPO AG (CH) 2015-02-25 EP disclosed
EP-1426361-B1 Novel composition containing a bi-cyclic compound and a glyceride SUCAMPO AG (CH) 2008-07-30 EP disclosed