SCHEMBL16023973

SCHEMBL16023973

CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCCCO)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.57
LPAR1 Q92633 2/20 0.50
LPAR3 Q9UBY5 2/20 0.50
TLR2 O60603 2/20 0.50

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
SCHEMBL17733481 1.00 ACHE (0.57) ACHELPAR1LPAR3TLR2
SCHEMBL12530818 1.00 ACHE (0.57) ACHELPAR1LPAR3TLR2
SCHEMBL17431977 0.93 ACHE (0.59) ACHELPAR1LPAR3TLR2
SCHEMBL15158621 0.93 ACHE (0.55) ACHELPAR1LPAR3TLR2
SCHEMBL10819280 0.93 ACHE (0.55) ACHELPAR1LPAR3TLR2
SCHEMBL15160079 0.93 ACHE (0.55) ACHELPAR1LPAR3TLR2
SCHEMBL16158099 0.92 ACHE (0.51) ACHELPAR1LPAR3TLR2
SCHEMBL18180593 0.92 ACHE (0.51) ACHELPAR1LPAR3TLR2
SCHEMBL19266108 0.91 ACHE (0.58) ACHE
SCHEMBL25005592 0.91 LPAR1 (0.54) ACHELPAR1LPAR3TLR2

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-2014136086-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2014-09-12 WO disclosed