SCHEMBL14339072

SCHEMBL14339072

CCCCCCCC/C=C\CCCCCCCCCOCC(O)CN(C)C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.54
LPAR1 Q92633 3/20 0.51
LPAR3 Q9UBY5 3/20 0.51
P2RY10 O00398 1/20 0.51
SPHK1 Q9NYA1 1/20 0.50
LPAR5 Q9H1C0 1/20 0.48
LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL2398277 0.96 USP2 (0.51) USP2HTTLPAR1LPAR3P2RY10
SCHEMBL2398274 0.96 USP2 (0.51) USP2HTTLPAR1LPAR3P2RY10
SCHEMBL2398172 0.96 USP2 (0.51) USP2HTTLPAR1LPAR3P2RY10
SCHEMBL11899303 0.96 USP2 (0.51) USP2HTTLPAR1LPAR3P2RY10
SCHEMBL2398170 0.96 USP2 (0.51) USP2HTTLPAR1LPAR3P2RY10
SCHEMBL2981072 0.90 USP2 (0.67) USP2HTTLPAR1LPAR3SPHK1
SCHEMBL3964904 0.90 USP2 (0.67) USP2HTTLPAR1LPAR3SPHK1
SCHEMBL12802300 0.90 USP2 (0.67) USP2HTTLPAR1LPAR3SPHK1
SCHEMBL8454480 0.90 USP2 (0.67) USP2HTTLPAR1LPAR3SPHK1
SCHEMBL3968392 0.90 USP2 (0.67) USP2HTTLPAR1LPAR3SPHK1

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-2007138324-A2 MATERIALS AND COMPLEXES FOR THE DELIVERY OF BIOLOGICALLY-ACTIVE MATERIAL TO CELLS UNIVERSITY COLLEGE LONDON (GB) 2007-12-06 WO disclosed