SCHEMBL8646473

SCHEMBL8646473

NN=Cc1ccc(C(=O)NC(Oc2ccccc2)(C(=O)O)C(=O)CCOC(=O)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
RAB9A P51151 6/20 0.34
NPC1 O15118 4/20 0.34
GAA P10253 2/20 0.34
MITF O75030 1/20 0.34
CTDSP1 Q9GZU7 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL8648370 0.91 MEN1 (0.33) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8643880 0.90 MEN1 (0.34) MEN1KMT2ARAB9ANPC1CTDSP1
Trifluoroacetic Acid SCHEMBL8644126 0.90 MAPT (0.35) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8644211 0.86 MAPT (0.36) MEN1KMT2ARAB9ANPC1GAA
Trifluoroacetic Acid SCHEMBL8643486 0.85 CTDSP1 (0.35) MEN1KMT2ARAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8643119 0.85 ALDH1A1 (0.35) MEN1KMT2ARAB9ANPC1CTDSP1
SCHEMBL8646015 0.84 MEN1 (0.39) MEN1KMT2ARAB9ANPC1CTDSP1
Trifluoroacetic Acid SCHEMBL8642849 0.84 CTDSP1 (0.33) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8644847 0.84 MAPT (0.32) MEN1KMT2ARAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8647775 0.83 MEN1 (0.38) MEN1KMT2ARAB9ANPC1CTDSP1

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed