SCHEMBL1661860

SCHEMBL1661860

CCCC[Sn](C=Cc1ccc(F)cc1)(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.42
TRPA1 O75762 4/20 0.41
APP P05067 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.36
PTGS1 P23219 2/20 0.36
HTR7 P34969 1/20 0.36
NQO2 P16083 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL17783837 0.82 ALDH1A1 (0.39)
SCHEMBL17783836 0.82 ALDH1A1 (0.39)
SCHEMBL702727 0.81 EGFR (0.41) LMNA
SCHEMBL6965007 0.81 EGFR (0.41) LMNA
SCHEMBL702726 0.81 EGFR (0.41) LMNA
SCHEMBL6878636 0.77 RARB (0.44)
SCHEMBL6878639 0.77 RARB (0.44)
SCHEMBL15769212 0.77 RRM2 (0.33) NFE2L2
SCHEMBL15769214 0.77 RRM2 (0.33) NFE2L2
SCHEMBL8583888 0.73 HTR7 (0.33) TRPA1HTR7

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-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed