SCHEMBL9878447

SCHEMBL9878447

C=CCCCCOc1ccc(C(=O)Oc2ccc(-c3ncc(CCCCCC)cn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RARB P10826 4/20 0.55
LMNA P02545 4/20 0.54
NPC1 O15118 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
POLB P06746 1/20 0.50
KMT2A Q03164 3/20 0.48
THRB P10828 3/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL9877676 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9879122 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9879155 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878184 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878535 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878709 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878771 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878498 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878864 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1
SCHEMBL9878115 1.00 MAPT (0.55) MAPTSMN1; SMN2RARBLMNANPC1

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-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed