SCHEMBL8875181

SCHEMBL8875181

CCCCCCCCc1ncc(-c2ccc(OC(=O)[C@H]3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
RARB P10826 4/20 0.32
THRB P10828 3/20 0.31
THRA P10827 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.31
NFKB1 P19838 3/20 0.31
NFKB2 Q00653 3/20 0.31
RELA Q04206 3/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
MGLL Q99685 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
SCHEMBL8875177 1.00 SMN1; SMN2 (0.33) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8874773 0.89 RARB (0.36) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8874776 0.89 RARB (0.36) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8874992 0.89 SMN1; SMN2 (0.35) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875001 0.89 SMN1; SMN2 (0.35) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8876108 0.87 PTGES (0.33) SMN1; SMN2MAPTRARBMEN1KMT2A
SCHEMBL8876114 0.87 PTGES (0.33) SMN1; SMN2MAPTRARBMEN1KMT2A
SCHEMBL8875592 0.86 RARB (0.47) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875598 0.86 RARB (0.47) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8873483 0.84 RARB (0.39) SMN1; SMN2MAPTRARBFAAHNFKB1

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
US-5641428-A SHORT SWITCHING TIMES HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed