SCHEMBL5328976

SCHEMBL5328976

CCCCCCCCCCCCCCCCCCOC([O])(O)CC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.47
LPAR2 Q9HBW0 4/20 0.47
LPAR1 Q92633 2/20 0.47
NAAA Q02083 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 1/20 0.41
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38

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
SCHEMBL4454457 0.77 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL30634500 0.77 CES1 (0.47) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL29018648 0.77 CA1 (0.43) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL4939579 0.76 LPAR3 (0.43) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL15308094 0.75 CES1 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL13456958 0.75 CES1 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL1899591 0.75 CES1 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL12468266 0.75 LPAR3 (0.41) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL8769729 0.75 CES1 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL20145201 0.75 CES1 (0.45) LPAR3LPAR2LPAR1NAAACES2

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
JP-2007077053-A OPHTHALMIC LIQUID PREPARATION COMPOSITION MENICON CO LTD 2007-03-29 JP disclosed