SCHEMBL2656017

SCHEMBL2656017

CCCCCc1ccc(-c2ccc(SCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.53
RARB P10826 6/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RARA P10276 1/20 0.52
MAPT P10636 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
PLK1 P53350 4/20 0.48
S1PR3 Q99500 2/20 0.47
S1PR2 O95136 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CNR2 P34972 1/20 0.46
GCGR P47871 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46

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
SCHEMBL2653397 0.92 HSD17B10 (0.49) S1PR1RARBMEN1ALDH1A1RARA
SCHEMBL2654669 0.88 CA1 (0.46) MEN1ALDH1A1MAPTKMT2AHRH3
SCHEMBL2654574 0.88 GCG (0.57) S1PR1RARBMEN1ALDH1A1MAPT
SCHEMBL2655431 0.88 EPHX2 (0.47) S1PR1HRH3GCGR
SCHEMBL2654996 0.86 FFAR1 (0.48) ALDH1A1KMT2AHRH3
SCHEMBL2656425 0.85 HRH3 (0.44) MEN1ALDH1A1MAPTKMT2AHRH3
SCHEMBL15723432 0.85 RARB (0.61) S1PR1RARBMEN1ALDH1A1RARA
SCHEMBL13418360 0.85 S1PR1 (0.65) S1PR1RARBMEN1ALDH1A1KMT2A
SCHEMBL7740315 0.84 S1PR1 (0.62) S1PR1RARBMEN1ALDH1A1RARA
SCHEMBL2654485 0.84 NPC1 (0.47) KMT2AHRH3GCGR

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 2 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 disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed