SCHEMBL469524

SCHEMBL469524

CCCCCCCCOC(CO)COCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
LPAR1 Q92633 6/20 0.49
LPAR3 Q9UBY5 6/20 0.49
LPAR2 Q9HBW0 3/20 0.49
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
ALDH1A1 P00352 1/20 0.47
DNM1 Q05193 1/20 0.44
TLR2 O60603 3/20 0.43
LPAR6 P43657 2/20 0.42
LPAR4 Q99677 2/20 0.42
LPAR5 Q9H1C0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9781604 0.92 USP2 (0.53) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL10762983 0.90 USP2 (0.44) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL10498365 0.89 USP2 (0.49) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL7060157 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL103054 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL25266425 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL10561321 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL7063486 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL7063456 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1
SCHEMBL7058701 0.88 USP2 (0.63) USP2LPAR1LPAR3LPAR2CNR1

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-2012031933-A2 DERIVATIZATION OF HYDROXYACETALS AND HYDROXYACETAL MIXTURES COGNIS IP MANAGEMENT GMBH (DE) 2012-03-15 WO disclosed