SCHEMBL5979983

SCHEMBL5979983

CCCCCCCCCCCCCCCCOCC(COC(=O)ON1C(=O)CCC1=O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 4/20 0.47
TLR2 O60603 12/20 0.44
LPAR2 Q9HBW0 1/20 0.44
AKT1 P31749 3/20 0.42
AKT2 P31751 3/20 0.42
AKT3 Q9Y243 3/20 0.42
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL24470513 1.00 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2AKT1
SCHEMBL10181716 1.00 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2AKT1
SCHEMBL30244929 1.00 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2AKT1
SCHEMBL25078771 1.00 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2AKT1
SCHEMBL13032606 1.00 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2AKT1
SCHEMBL24208066 0.93 TLR2 (0.43) LPAR1LPAR3TLR2LPAR2
SCHEMBL13366871 0.90 CNR1 (0.40) LPAR1LPAR3TLR2
SCHEMBL24209900 0.89 ALDH1A1 (0.44) LPAR1LPAR3TLR2
SCHEMBL25408144 0.89 ALDH1A1 (0.44) LPAR1LPAR3TLR2
SCHEMBL13563940 0.88 LPAR1 (0.32) LPAR1LPAR3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 EP disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 WO disclosed