SCHEMBL20101402

SCHEMBL20101402

COP(C)(=O)OCCCCCCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.41
LPAR2 Q9HBW0 9/20 0.41
LPAR1 Q92633 4/20 0.41
ACHE P22303 6/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 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
SCHEMBL21219396 0.98 LPAR3 (0.38) LPAR3LPAR2LPAR1ACHEALDH1A1
SCHEMBL21219378 0.91 CYP3A4 (0.34) LPAR3LPAR2LPAR1
SCHEMBL4147128 0.84
SCHEMBL11315928 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB
SCHEMBL10826446 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB
SCHEMBL21569461 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB
SCHEMBL21569439 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB
SCHEMBL212017 0.81 CYP3A4 (0.43) LPAR3LPAR2LPAR1ACHEALDH1A1
SCHEMBL21569457 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB
SCHEMBL21569448 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1MEN1THRB

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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed