SCHEMBL8874773

SCHEMBL8874773

CCCCCCCCOc1ncc(-c2ccc(OC(=O)C3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
HTR1A P08908 1/20 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
SCHEMBL8874776 1.00 RARB (0.36) RARBNFKB1NFKB2RELANPC1
SCHEMBL8875177 0.89 SMN1; SMN2 (0.33) RARBNFKB1NFKB2RELANPC1
SCHEMBL8875181 0.89 SMN1; SMN2 (0.33) RARBNFKB1NFKB2RELANPC1
SCHEMBL8875140 0.89 RARB (0.39) RARBNFKB1NFKB2RELANPC1
SCHEMBL8875134 0.89 RARB (0.39) RARBNFKB1NFKB2RELANPC1
SCHEMBL9724235 0.89 RARB (0.39) RARBNFKB1NFKB2RELANPC1
SCHEMBL8873483 0.87 RARB (0.39) RARBNFKB1NFKB2RELANPC1
SCHEMBL8873490 0.87 RARB (0.39) RARBNFKB1NFKB2RELANPC1
SCHEMBL8876108 0.87 PTGES (0.33) RARBNFKB1NFKB2RELANPC1
SCHEMBL8876114 0.87 PTGES (0.33) RARBNFKB1NFKB2RELANPC1

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