SCHEMBL8874992

SCHEMBL8874992

CCCCCCCCc1ncc(-c2ccc(OC(=O)C3COC(C)(C)O3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
RARB P10826 4/20 0.34
THRB P10828 3/20 0.33
THRA P10827 2/20 0.33
FAAH O00519 1/20 0.33
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
MGLL Q99685 2/20 0.32

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
SCHEMBL8875001 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8876063 0.89 RARB (0.43) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8874662 0.89 RARB (0.43) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8874657 0.89 RARB (0.43) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8876070 0.89 RARB (0.43) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875177 0.89 SMN1; SMN2 (0.33) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875181 0.89 SMN1; SMN2 (0.33) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875134 0.88 RARB (0.39) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL8875140 0.88 RARB (0.39) SMN1; SMN2MAPTRARBTHRBTHRA
SCHEMBL9724235 0.88 RARB (0.39) SMN1; SMN2MAPTRARBTHRBTHRA

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