SCHEMBL12468266

SCHEMBL12468266

CCCCCOC(O)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
NAAA Q02083 1/20 0.37
CES2 O00748 2/20 0.36
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.98 LPAR3 (0.45) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL14359444 0.87 LPAR3 (0.41) LPAR3LPAR2LPAR1CES1CES2
SCHEMBL28353706 0.81 TSHR (0.32) TSHR
SCHEMBL2808705 0.77 CES1 (0.42) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL30634500 0.77 CES1 (0.47) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL11596808 0.76 LPAR3 (0.39) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL4939579 0.76 LPAR3 (0.43) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL29435127 0.76 MEN1 (0.41) CES1MEN1THRBHTTKMT2A
SCHEMBL8769729 0.75 CES1 (0.45) LPAR3LPAR2LPAR1CES1CA12
SCHEMBL13456958 0.75 CES1 (0.45) LPAR3LPAR2LPAR1CES1CA12

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-2012038538-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE QUATERNARY AMMONIUM ESTER AND AT LEAST ONE SOLUBLE SALT OF DIVALENT METALS, AND PROCESS USING THE SAID COMPOSITION L'OREAL (FR) 2012-03-29 WO claimed