SCHEMBL13354524

SCHEMBL13354524

CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 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
SCHEMBL17549734 1.00 LMNA (0.32) LMNACES2LPAR1LPAR3
SCHEMBL2483152 1.00 LMNA (0.32) LMNACES2LPAR1LPAR3
SCHEMBL17549723 1.00 LMNA (0.32) LMNACES2LPAR1LPAR3
SCHEMBL1703747 1.00 LMNA (0.32) LMNACES2LPAR1LPAR3
SCHEMBL1703745 1.00 LMNA (0.32) LMNACES2LPAR1LPAR3
SCHEMBL6513513 0.97 CES2 (0.31) LMNACES2LPAR1LPAR3
SCHEMBL6291255 0.93 CES2 (0.38) LMNACES2LPAR1LPAR3
SCHEMBL13826951 0.93 CES2 (0.38) LMNACES2LPAR1LPAR3
SCHEMBL11882704 0.93 CES2 (0.38) LMNACES2LPAR1LPAR3
SCHEMBL17691447 0.93 CES2 (0.38) LMNACES2LPAR1LPAR3

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-2010053572-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-05-14 WO disclosed