SCHEMBL21887657

SCHEMBL21887657

CCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(OC)OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.54
LPAR1 Q92633 3/20 0.53
LPAR2 Q9HBW0 2/20 0.53
ENPP2 Q13822 1/20 0.53
FAAH O00519 4/20 0.53
NAAA Q02083 1/20 0.51
DNM1 Q05193 2/20 0.50
EPHX2 P34913 3/20 0.49
TSHR P16473 1/20 0.49
LPAR3 Q9UBY5 2/20 0.48
SLC6A5 Q9Y345 1/20 0.48

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
SCHEMBL21204263 0.87 LPAR1 (0.55) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL16639380 0.87 LPAR1 (0.55) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL21204364 0.87 LPAR1 (0.55) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL21204352 0.87 LPAR1 (0.55) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL26242295 0.86 CASP2 (0.51) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL17056238 0.85 LPAR1 (0.71) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL16640031 0.85 LPAR1 (0.71) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL18736049 0.85 TSHR (0.68) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL18735873 0.85 TSHR (0.68) CASP2LPAR1LPAR2ENPP2FAAH
SCHEMBL27098303 0.85 TSHR (0.68) CASP2LPAR1LPAR2ENPP2FAAH

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-2020061497-A1 COMPOSITIONS AND METHODS FOR MODULATION OF LMNA EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2020-03-26 WO disclosed