SCHEMBL3979299

SCHEMBL3979299

CC(O)C(C)(N)CCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
S1PR1 P21453 9/20 0.49
S1PR3 Q99500 6/20 0.49
S1PR4 O95977 5/20 0.49
S1PR5 Q9H228 5/20 0.49
PPARG P37231 1/20 0.45

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
SCHEMBL1628368 1.00 FFAR1 (0.52) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1625282 1.00 FFAR1 (0.52) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1625875 0.99 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL14246856 0.90 FFAR1 (0.52) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1626906 0.86 S1PR4 (0.49) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1625828 0.86 S1PR4 (0.49) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1626412 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1626974 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1626931 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13844525 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5

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
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP disclosed