SCHEMBL9716333

SCHEMBL9716333

CCCCCCCCCCCCCCCCCCOCC(CSCCOCCN1C=C[N+](=CCCC(=O)[O-])C1)OC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.32
LPAR3 Q9UBY5 5/20 0.32
AKT1 P31749 3/20 0.31
AKT2 P31751 3/20 0.31
AKT3 Q9Y243 3/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
LPAR6 P43657 3/20 0.30
LPAR4 Q99677 3/20 0.30
LPAR5 Q9H1C0 3/20 0.30
LPAR2 Q9HBW0 3/20 0.30

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
SCHEMBL9716437 0.89
SCHEMBL9716224 0.85 FAAH (0.31)
SCHEMBL9720165 0.80 PPARA (0.32)
SCHEMBL9720180 0.80 PPARA (0.32)
SCHEMBL10436727 0.79
SCHEMBL10439969 0.78 FABP3 (0.34) LPAR1LPAR3LPAR2
SCHEMBL9720245 0.78 FABP3 (0.32) LPAR1LPAR3
SCHEMBL9716475 0.77
SCHEMBL9720200 0.76 PPARG (0.33)
SCHEMBL9720191 0.76 PPARG (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed