SCHEMBL2656519

SCHEMBL2656519

CC(C)CCCOc1ccc(OCCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.56
S1PR3 Q99500 3/20 0.56
S1PR5 Q9H228 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
FFAR1 O14842 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RARB P10826 1/20 0.49

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
SCHEMBL2656631 0.88 NPC1 (0.67) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2654883 0.88 NPC1 (0.67) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2654629 0.87 GCG (0.55) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2654896 0.86 S1PR1 (0.60) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2657107 0.86 S1PR1 (0.66) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL15943176 0.86 NPC1 (0.54) S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL2655267 0.85 RXRA (0.55) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2653847 0.85 NPC1 (0.57) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2655880 0.84 NPC1 (0.56) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2655022 0.84 S1PR1 (0.58) S1PR1S1PR3S1PR5NPC1RAB9A

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
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed